prop-2-enyl 4-butylcyclohexane-1-carboxylate

C14H24O2 — CID 139948297

IUPACprop-2-enyl 4-butylcyclohexane-1-carboxylate
SMILESC=CCOC(=O)C1CCC(CCCC)CC1
InChIInChI=1S/C14H24O2/c1-3-5-6-12-7-9-13(10-8-12)14(15)16-11-4-2/h4,12-13H,2-3,5-11H2,1H3
InChIKeyGKWXSFFKIPAHGO-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.71
Rot. Bonds6

About prop-2-enyl 4-butylcyclohexane-1-carboxylate

prop-2-enyl 4-butylcyclohexane-1-carboxylate (PubChem CID 139948297) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is prop-2-enyl 4-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-butylcyclohexane-1-carboxylate
PubChem CID139948297
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameprop-2-enyl 4-butylcyclohexane-1-carboxylate
SMILESC=CCOC(=O)C1CCC(CCCC)CC1
InChIInChI=1S/C14H24O2/c1-3-5-6-12-7-9-13(10-8-12)14(15)16-11-4-2/h4,12-13H,2-3,5-11H2,1H3
InChIKeyGKWXSFFKIPAHGO-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 4-butylcyclohexane-1-carboxylate
CID 60643355
prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
CID 69033800
4-formyloxybutyl 4-butylcyclohexane-1-carboxylate
CID 90194300
6-prop-2-enoyloxyhexyl 4-pentylcyclohexane-1-carboxylate
CID 126578276
4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 66952596
butyl 4-(2-fluoroethyl)cyclohexane-1-carboxylate
CID 70829178
4-(4-pentylcyclohexyl)pentyl 4-butylcyclohexane-1-carboxylate
CID 23334914
prop-2-enyl cyclododecanecarboxylate
CID 139624721
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-butylcyclohexane-1-carboxylate
CID 3093754
4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate
CID 91734422
1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742586
ethyl 4-[(E)-4-(4-pentylcyclohexyl)but-1-enyl]cyclohexane-1-carboxylate
CID 139659711

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-butylcyclohexane-1-carboxylate?
The IUPAC name of prop-2-enyl 4-butylcyclohexane-1-carboxylate (CID 139948297) is prop-2-enyl 4-butylcyclohexane-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-butylcyclohexane-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-butylcyclohexane-1-carboxylate is C=CCOC(=O)C1CCC(CCCC)CC1.
What is the InChIKey of prop-2-enyl 4-butylcyclohexane-1-carboxylate?
The InChIKey is GKWXSFFKIPAHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-6-12-7-9-13(10-8-12)14(15)16-11-4-2/h4,12-13H,2-3,5-11H2,1H3.
What are the key properties of prop-2-enyl 4-butylcyclohexane-1-carboxylate?
prop-2-enyl 4-butylcyclohexane-1-carboxylate has a molecular weight of 224.34 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 139948297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).