4-cyclohexylbutyl formate

C11H20O2 — CID 87468651

IUPAC4-cyclohexylbutyl formate
SMILESO=COCCCCC1CCCCC1
InChIInChI=1S/C11H20O2/c12-10-13-9-5-4-8-11-6-2-1-3-7-11/h10-11H,1-9H2
InChIKeyRINXPMPKJBSGND-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.91
Rot. Bonds6

About 4-cyclohexylbutyl formate

4-cyclohexylbutyl formate (PubChem CID 87468651) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-cyclohexylbutyl formate.

Molecular Properties

Compound Name4-cyclohexylbutyl formate
PubChem CID87468651
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-cyclohexylbutyl formate
SMILESO=COCCCCC1CCCCC1
InChIInChI=1S/C11H20O2/c12-10-13-9-5-4-8-11-6-2-1-3-7-11/h10-11H,1-9H2
InChIKeyRINXPMPKJBSGND-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cyclohexylbutyl formate;methane
CID 143866178
4-cyclopentylbutylcyclohexane
CID 144547696
13-cyclohexyltridecanal
CID 173254784
6-(cyclohexylamino)hexyl formate
CID 87065748
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-(oxiran-2-yl)butyl formate
CID 140743474
2-(4-formylcyclohexyl)ethyl formate
CID 175526919
3-cyclobutylpropylcyclohexane
CID 54165208
4-hept-5-enoxybutylcyclohexane
CID 57300842
4-formyloxybutyl 4-butylcyclohexane-1-carboxylate
CID 90194300
1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane
CID 168781110
6-(5-cyclohexylpentylamino)hexyl prop-2-enoate
CID 70560531

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbutyl formate?
The IUPAC name of 4-cyclohexylbutyl formate (CID 87468651) is 4-cyclohexylbutyl formate.
What is the SMILES notation for 4-cyclohexylbutyl formate?
The canonical SMILES for 4-cyclohexylbutyl formate is O=COCCCCC1CCCCC1.
What is the InChIKey of 4-cyclohexylbutyl formate?
The InChIKey is RINXPMPKJBSGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c12-10-13-9-5-4-8-11-6-2-1-3-7-11/h10-11H,1-9H2.
What are the key properties of 4-cyclohexylbutyl formate?
4-cyclohexylbutyl formate has a molecular weight of 184.28 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbutyl formate is sourced from PubChem (CID 87468651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).