Name: Name:1,4-BIS(1-HYDROXYCYCLOHEXYL)-1,3-BUTADIYNE
Brand: Angene
SKU: AG003DMK
Rating: 90 (10 reviews)

1,4-BIS(1-HYDROXYCYCLOHEXYL)-1,3-BUTADIYNE

CAS No.:

5768-10-5

Catalog Number:

AG003DMK

Molecular Formula:

Molecular Weight:

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Product Description

Catalog Number:

AG003DMK

Chemical Name:

1,4-BIS(1-HYDROXYCYCLOHEXYL)-1,3-BUTADIYNE

CAS Number:

5768-10-5

MDL Number:

MFCD00021401

IUPAC Name:

1-[4-(1-hydroxycyclohexyl)buta-1,3-diynyl]cyclohexan-1-ol

InChI:

InChI=1S/C16H22O2/c17-15(9-3-1-4-10-15)13-7-8-14-16(18)11-5-2-6-12-16/h17-18H,1-6,9-12H2

InChI Key:

KJOFBMLTQUHDCL-UHFFFAOYSA-N

UNII:

H52T9NIS3Q

NSC Number:

407601

Properties

Complexity:

369

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

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Exact Mass:

246.162g/mol

Formal Charge:

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Molecular Weight:

246.35g/mol

Monoisotopic Mass:

246.162g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties