3-butoxy-1-(4-methylcyclohexyl)propan-1-ol

C14H28O2 — CID 115003111

IUPAC3-butoxy-1-(4-methylcyclohexyl)propan-1-ol
SMILESCCCCOCCC(O)C1CCC(C)CC1
InChIInChI=1S/C14H28O2/c1-3-4-10-16-11-9-14(15)13-7-5-12(2)6-8-13/h12-15H,3-11H2,1-2H3
InChIKeyZWNAHULFMWJIQC-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.38
Rot. Bonds7

About 3-butoxy-1-(4-methylcyclohexyl)propan-1-ol

3-butoxy-1-(4-methylcyclohexyl)propan-1-ol (PubChem CID 115003111) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-butoxy-1-(4-methylcyclohexyl)propan-1-ol.

Molecular Properties

Compound Name3-butoxy-1-(4-methylcyclohexyl)propan-1-ol
PubChem CID115003111
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3-butoxy-1-(4-methylcyclohexyl)propan-1-ol
SMILESCCCCOCCC(O)C1CCC(C)CC1
InChIInChI=1S/C14H28O2/c1-3-4-10-16-11-9-14(15)13-7-5-12(2)6-8-13/h12-15H,3-11H2,1-2H3
InChIKeyZWNAHULFMWJIQC-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.38
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-cyclobutyl-3-propoxypropan-1-ol
CID 105130749
1-cyclopropylpentan-1-ol
CID 551238
3-ethyl-1-(4-methylcyclohexyl)heptan-1-ol
CID 63410678
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltridecan-1-ol
CID 63410999
5-methyl-1-(4-methylcyclohexyl)hexan-1-ol
CID 83158070
3-ethoxy-1-(4-ethylcyclohexyl)propan-1-ol
CID 105103746
1-cyclopropylheptane-1,3-diol
CID 174466446
1-cyclopropyl-3-(4-methylcyclohexyl)propan-1-ol
CID 64775324
1-amino-3-butoxypropan-1-ol
CID 57047625
1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 63354833

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-1-(4-methylcyclohexyl)propan-1-ol?
The IUPAC name of 3-butoxy-1-(4-methylcyclohexyl)propan-1-ol (CID 115003111) is 3-butoxy-1-(4-methylcyclohexyl)propan-1-ol.
What is the SMILES notation for 3-butoxy-1-(4-methylcyclohexyl)propan-1-ol?
The canonical SMILES for 3-butoxy-1-(4-methylcyclohexyl)propan-1-ol is CCCCOCCC(O)C1CCC(C)CC1.
What is the InChIKey of 3-butoxy-1-(4-methylcyclohexyl)propan-1-ol?
The InChIKey is ZWNAHULFMWJIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-3-4-10-16-11-9-14(15)13-7-5-12(2)6-8-13/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-butoxy-1-(4-methylcyclohexyl)propan-1-ol?
3-butoxy-1-(4-methylcyclohexyl)propan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1-(4-methylcyclohexyl)propan-1-ol is sourced from PubChem (CID 115003111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).