1-[(1-hydroxycyclohexyl)methyl]-3,3,5-trimethylcyclohexan-1-ol

C16H30O2 — CID 91036468

IUPAC1-[(1-hydroxycyclohexyl)methyl]-3,3,5-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(CC2(O)CCCCC2)C1
InChIInChI=1S/C16H30O2/c1-13-9-14(2,3)11-16(18,10-13)12-15(17)7-5-4-6-8-15/h13,17-18H,4-12H2,1-3H3
InChIKeyMOHVXWODLIRHLR-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.65
Rot. Bonds2

About 1-[(1-hydroxycyclohexyl)methyl]-3,3,5-trimethylcyclohexan-1-ol

1-[(1-hydroxycyclohexyl)methyl]-3,3,5-trimethylcyclohexan-1-ol (PubChem CID 91036468) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)methyl]-3,3,5-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)methyl]-3,3,5-trimethylcyclohexan-1-ol
PubChem CID91036468
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name1-[(1-hydroxycyclohexyl)methyl]-3,3,5-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(CC2(O)CCCCC2)C1
InChIInChI=1S/C16H30O2/c1-13-9-14(2,3)11-16(18,10-13)12-15(17)7-5-4-6-8-15/h13,17-18H,4-12H2,1-3H3
InChIKeyMOHVXWODLIRHLR-UHFFFAOYSA-N
XLogP3.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-ethyl-3,3,5-trimethylcyclohexan-1-ol
CID 134996054
1-(cyclopentylmethyl)-3,3,5-trimethylcyclohexan-1-ol
CID 65147728
1-(2-cyclopropylethyl)-3,3,5-trimethylcyclohexan-1-ol
CID 106590352
3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol
CID 83157507
3,3,5-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65147877
2-[(1-hydroxy-3,3,5-trimethylcyclohexyl)methyl]prop-2-enoic acid
CID 166769451
1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol
CID 65147372
fluoromethane;1,3,3,5-tetramethylcyclohexan-1-ol
CID 142032504
1-cycloheptyl-3,3,5-trimethylcyclohexan-1-ol
CID 82928785
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
1-[(5-bromothiophen-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-ol
CID 65147426
1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 79426055

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3,3,5-trimethylcyclohexan-1-ol?
The IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3,3,5-trimethylcyclohexan-1-ol (CID 91036468) is 1-[(1-hydroxycyclohexyl)methyl]-3,3,5-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)methyl]-3,3,5-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)methyl]-3,3,5-trimethylcyclohexan-1-ol is CC1CC(C)(C)CC(O)(CC2(O)CCCCC2)C1.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)methyl]-3,3,5-trimethylcyclohexan-1-ol?
The InChIKey is MOHVXWODLIRHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-13-9-14(2,3)11-16(18,10-13)12-15(17)7-5-4-6-8-15/h13,17-18H,4-12H2,1-3H3.
What are the key properties of 1-[(1-hydroxycyclohexyl)methyl]-3,3,5-trimethylcyclohexan-1-ol?
1-[(1-hydroxycyclohexyl)methyl]-3,3,5-trimethylcyclohexan-1-ol has a molecular weight of 254.41 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohexyl)methyl]-3,3,5-trimethylcyclohexan-1-ol is sourced from PubChem (CID 91036468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).