3-methoxy-1-nonylcyclohexan-1-ol

C16H32O2 — CID 106873856

IUPAC3-methoxy-1-nonylcyclohexan-1-ol
SMILESCCCCCCCCCC1(O)CCCC(OC)C1
InChIInChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-12-16(17)13-10-11-15(14-16)18-2/h15,17H,3-14H2,1-2H3
InChIKeyLVSAYMDFXWYUFY-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.45
Rot. Bonds9

About 3-methoxy-1-nonylcyclohexan-1-ol

3-methoxy-1-nonylcyclohexan-1-ol (PubChem CID 106873856) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-methoxy-1-nonylcyclohexan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-nonylcyclohexan-1-ol
PubChem CID106873856
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name3-methoxy-1-nonylcyclohexan-1-ol
SMILESCCCCCCCCCC1(O)CCCC(OC)C1
InChIInChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-12-16(17)13-10-11-15(14-16)18-2/h15,17H,3-14H2,1-2H3
InChIKeyLVSAYMDFXWYUFY-UHFFFAOYSA-N
XLogP4.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-1,3-dimethoxycyclohexane
CID 140988786
1-octadecylcyclohexan-1-ol
CID 67204292
1-heptylcycloheptan-1-ol
CID 57057960
2-(3-hydroxy-3-pentylcyclohexyl)acetic acid
CID 70610596
1-decyl-3,3-dimethylcyclohexan-1-ol
CID 65149393
3-ethoxy-1-hexylcyclobutan-1-ol
CID 106823263
1-heptadecylcyclopropan-1-ol
CID 2802251
heptane;methoxycyclopentane
CID 131735357
3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol
CID 106873818
3,3-dimethyl-1-pentylcyclohexan-1-ol
CID 65148962
3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol
CID 106874124
3-octyl-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171959535

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-nonylcyclohexan-1-ol?
The IUPAC name of 3-methoxy-1-nonylcyclohexan-1-ol (CID 106873856) is 3-methoxy-1-nonylcyclohexan-1-ol.
What is the SMILES notation for 3-methoxy-1-nonylcyclohexan-1-ol?
The canonical SMILES for 3-methoxy-1-nonylcyclohexan-1-ol is CCCCCCCCCC1(O)CCCC(OC)C1.
What is the InChIKey of 3-methoxy-1-nonylcyclohexan-1-ol?
The InChIKey is LVSAYMDFXWYUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-12-16(17)13-10-11-15(14-16)18-2/h15,17H,3-14H2,1-2H3.
What are the key properties of 3-methoxy-1-nonylcyclohexan-1-ol?
3-methoxy-1-nonylcyclohexan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-nonylcyclohexan-1-ol is sourced from PubChem (CID 106873856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).