1-cyclohexyl-6-methylheptane-2,4-diol

C14H28O2 — CID 173250018

IUPAC1-cyclohexyl-6-methylheptane-2,4-diol
SMILESCC(C)CC(O)CC(O)CC1CCCCC1
InChIInChI=1S/C14H28O2/c1-11(2)8-13(15)10-14(16)9-12-6-4-3-5-7-12/h11-16H,3-10H2,1-2H3
InChIKeyIILYKOBIDZOQJP-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.11
Rot. Bonds6

About 1-cyclohexyl-6-methylheptane-2,4-diol

1-cyclohexyl-6-methylheptane-2,4-diol (PubChem CID 173250018) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-cyclohexyl-6-methylheptane-2,4-diol.

Molecular Properties

Compound Name1-cyclohexyl-6-methylheptane-2,4-diol
PubChem CID173250018
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-cyclohexyl-6-methylheptane-2,4-diol
SMILESCC(C)CC(O)CC(O)CC1CCCCC1
InChIInChI=1S/C14H28O2/c1-11(2)8-13(15)10-14(16)9-12-6-4-3-5-7-12/h11-16H,3-10H2,1-2H3
InChIKeyIILYKOBIDZOQJP-UHFFFAOYSA-N
XLogP3.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(4S,6S)-4-(cyclohexylmethyl)-6-hydroxy-8-methylnonan-2-one
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(2R)-1-cyclohexylbutan-2-ol
CID 59949714
1-cyclopentyl-4-ethylhexane-2,5-diol
CID 103160935
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride
CID 174274064
(2R,3S,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol
CID 102069608
3-cyclohexyl-2-methylpropane-1,1-diol
CID 20647941
1-cyclohexyl-4-methylpent-4-en-2-ol
CID 115816975

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-methylheptane-2,4-diol?
The IUPAC name of 1-cyclohexyl-6-methylheptane-2,4-diol (CID 173250018) is 1-cyclohexyl-6-methylheptane-2,4-diol.
What is the SMILES notation for 1-cyclohexyl-6-methylheptane-2,4-diol?
The canonical SMILES for 1-cyclohexyl-6-methylheptane-2,4-diol is CC(C)CC(O)CC(O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-6-methylheptane-2,4-diol?
The InChIKey is IILYKOBIDZOQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-11(2)8-13(15)10-14(16)9-12-6-4-3-5-7-12/h11-16H,3-10H2,1-2H3.
What are the key properties of 1-cyclohexyl-6-methylheptane-2,4-diol?
1-cyclohexyl-6-methylheptane-2,4-diol has a molecular weight of 228.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-methylheptane-2,4-diol is sourced from PubChem (CID 173250018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).