Name: Name:2-Heptanol, 2,6-dimethyl-
Brand: Angene
SKU: AG0010ST
Rating: 90 (10 reviews)

2-Heptanol, 2,6-dimethyl-

CAS No.:

13254-34-7

Catalog Number:

AG0010ST

Molecular Formula:

C9H20O

Molecular Weight:

144.2545

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Product Description

Catalog Number:

AG0010ST

Chemical Name:

2-Heptanol, 2,6-dimethyl-

CAS Number:

13254-34-7

Molecular Formula:

C9H20O

Molecular Weight:

144.2545

MDL Number:

MFCD00072198

IUPAC Name:

2,6-dimethylheptan-2-ol

InChI:

InChI=1S/C9H20O/c1-8(2)6-5-7-9(3,4)10/h8,10H,5-7H2,1-4H3

InChI Key:

HGDVHRITTGWMJK-UHFFFAOYSA-N

SMILES:

CC(CCCC(O)(C)C)C

EC Number:

236-244-1

UNII:

991142090Z

Properties

Complexity:

84.7

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

144.151g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

144.258g/mol

Monoisotopic Mass:

144.151g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Fragrance material review on 2,6-dimethyl-2-heptanol.	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20100701

Properties