1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol

C14H28O2 — CID 116754485

IUPAC1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol
SMILESCCCCCC(O)C1(OC)CCC(C)CC1
InChIInChI=1S/C14H28O2/c1-4-5-6-7-13(15)14(16-3)10-8-12(2)9-11-14/h12-13,15H,4-11H2,1-3H3
InChIKeyUFNFSDRBUABKIL-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.52
Rot. Bonds6

About 1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol

1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol (PubChem CID 116754485) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol.

Molecular Properties

Compound Name1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol
PubChem CID116754485
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol
SMILESCCCCCC(O)C1(OC)CCC(C)CC1
InChIInChI=1S/C14H28O2/c1-4-5-6-7-13(15)14(16-3)10-8-12(2)9-11-14/h12-13,15H,4-11H2,1-3H3
InChIKeyUFNFSDRBUABKIL-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.52
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-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
CID 116766098
1-(1-methoxycyclopentyl)nonan-1-ol
CID 113432696
1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol
CID 116754445
1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol
CID 116754607
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
CID 116766596
2-ethoxy-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754612
1-(4-methoxyoxan-4-yl)undecan-1-ol
CID 116753924
(1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
CID 104932362
1-(1-hydroxypentyl)-4-methylcyclohexan-1-ol
CID 103452288
1-(1-methoxy-4-methylcyclohexyl)but-3-en-1-ol
CID 116754516
2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754535
1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol
CID 66961510

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol?
The IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol (CID 116754485) is 1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol.
What is the SMILES notation for 1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol?
The canonical SMILES for 1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol is CCCCCC(O)C1(OC)CCC(C)CC1.
What is the InChIKey of 1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol?
The InChIKey is UFNFSDRBUABKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-5-6-7-13(15)14(16-3)10-8-12(2)9-11-14/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol?
1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol is sourced from PubChem (CID 116754485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).