4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol

C14H28O2 — CID 115839615

IUPAC4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol
SMILESCOCCCC(O)C1(CC(C)C)CCCC1
InChIInChI=1S/C14H28O2/c1-12(2)11-14(8-4-5-9-14)13(15)7-6-10-16-3/h12-13,15H,4-11H2,1-3H3
InChIKeyJKAWRQSHJDSRHV-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.38
Rot. Bonds7

About 4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol

4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol (PubChem CID 115839615) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol
PubChem CID115839615
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol
SMILESCOCCCC(O)C1(CC(C)C)CCCC1
InChIInChI=1S/C14H28O2/c1-12(2)11-14(8-4-5-9-14)13(15)7-6-10-16-3/h12-13,15H,4-11H2,1-3H3
InChIKeyJKAWRQSHJDSRHV-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

[4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butyl]hydrazine
CID 105342541
4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol
CID 114854964
1-[1-(diethylamino)cyclopentyl]-4-methoxybutan-1-ol
CID 114854829
5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine
CID 81101419
1-(1-hydroxy-3-methoxypropyl)cyclohexan-1-ol
CID 69080756
1-(chloromethyl)-1-(4-methoxybutan-2-yl)cyclopentane
CID 116500273
2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
CID 115821324
[1-(4-methoxybutan-2-yl)cyclobutyl]methanol
CID 116500225
4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine
CID 103032089
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol
CID 114855143
1-[1-(2-methylpropyl)cyclopentyl]hexan-1-amine
CID 115837142
1-amino-4-methoxybutan-1-ol
CID 57141832

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol?
The IUPAC name of 4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol (CID 115839615) is 4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol.
What is the SMILES notation for 4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol?
The canonical SMILES for 4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol is COCCCC(O)C1(CC(C)C)CCCC1.
What is the InChIKey of 4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol?
The InChIKey is JKAWRQSHJDSRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-12(2)11-14(8-4-5-9-14)13(15)7-6-10-16-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol?
4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-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 4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol is sourced from PubChem (CID 115839615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).