[5-[2-(3-methoxy-4-methylcyclohexyl)propan-2-yl]-2-methylcyclohexyl]methanol

C19H36O2 — CID 153437712

IUPAC[5-[2-(3-methoxy-4-methylcyclohexyl)propan-2-yl]-2-methylcyclohexyl]methanol
SMILESCOC1CC(C(C)(C)C2CCC(C)C(CO)C2)CCC1C
InChIInChI=1S/C19H36O2/c1-13-6-8-16(10-15(13)12-20)19(3,4)17-9-7-14(2)18(11-17)21-5/h13-18,20H,6-12H2,1-5H3
InChIKeyWMNWFZJOCXLDAH-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.51
Rot. Bonds4

About [5-[2-(3-methoxy-4-methylcyclohexyl)propan-2-yl]-2-methylcyclohexyl]methanol

[5-[2-(3-methoxy-4-methylcyclohexyl)propan-2-yl]-2-methylcyclohexyl]methanol (PubChem CID 153437712) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is [5-[2-(3-methoxy-4-methylcyclohexyl)propan-2-yl]-2-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[5-[2-(3-methoxy-4-methylcyclohexyl)propan-2-yl]-2-methylcyclohexyl]methanol
PubChem CID153437712
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name[5-[2-(3-methoxy-4-methylcyclohexyl)propan-2-yl]-2-methylcyclohexyl]methanol
SMILESCOC1CC(C(C)(C)C2CCC(C)C(CO)C2)CCC1C
InChIInChI=1S/C19H36O2/c1-13-6-8-16(10-15(13)12-20)19(3,4)17-9-7-14(2)18(11-17)21-5/h13-18,20H,6-12H2,1-5H3
InChIKeyWMNWFZJOCXLDAH-UHFFFAOYSA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-[4-(2-hydroxyethoxy)-3-methylcyclohexyl]propan-2-yl]-2-methylcyclohexyl]oxyethanol
CID 164590091
3-methoxy-4-methylcyclohexan-1-ol
CID 89006966
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
(1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane
CID 167287660
trans-(1S,2S)-1-methoxy-2-methylcyclopropane
CID 176834458
1-methoxy-4-[2-(4-methoxy-3-nitrosocyclohexyl)propan-2-yl]-2-nitrosocyclohexane
CID 54378134
2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane
CID 45094286
[(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol
CID 130848342
4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;[2-(hydroxymethyl)cyclohexyl]methanol
CID 67640384
cis-(1R,4R)-1-ethyl-4-[2-[(1S,3R)-3-ethylcyclopentyl]propan-2-yl]-2-methylcyclopentane
CID 149008004
1-methyl-3-[2-(3-methylcyclopentyl)propan-2-yl]cyclopentane
CID 58630980
4-[2-(4-amino-3-ethylcyclohexyl)propan-2-yl]-2-ethylcyclohexan-1-amine
CID 118035063

Frequently Asked Questions

What is the IUPAC name of [5-[2-(3-methoxy-4-methylcyclohexyl)propan-2-yl]-2-methylcyclohexyl]methanol?
The IUPAC name of [5-[2-(3-methoxy-4-methylcyclohexyl)propan-2-yl]-2-methylcyclohexyl]methanol (CID 153437712) is [5-[2-(3-methoxy-4-methylcyclohexyl)propan-2-yl]-2-methylcyclohexyl]methanol.
What is the SMILES notation for [5-[2-(3-methoxy-4-methylcyclohexyl)propan-2-yl]-2-methylcyclohexyl]methanol?
The canonical SMILES for [5-[2-(3-methoxy-4-methylcyclohexyl)propan-2-yl]-2-methylcyclohexyl]methanol is COC1CC(C(C)(C)C2CCC(C)C(CO)C2)CCC1C.
What is the InChIKey of [5-[2-(3-methoxy-4-methylcyclohexyl)propan-2-yl]-2-methylcyclohexyl]methanol?
The InChIKey is WMNWFZJOCXLDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-13-6-8-16(10-15(13)12-20)19(3,4)17-9-7-14(2)18(11-17)21-5/h13-18,20H,6-12H2,1-5H3.
What are the key properties of [5-[2-(3-methoxy-4-methylcyclohexyl)propan-2-yl]-2-methylcyclohexyl]methanol?
[5-[2-(3-methoxy-4-methylcyclohexyl)propan-2-yl]-2-methylcyclohexyl]methanol has a molecular weight of 296.50 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(3-methoxy-4-methylcyclohexyl)propan-2-yl]-2-methylcyclohexyl]methanol is sourced from PubChem (CID 153437712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).