(1-butyl-2-methoxycyclohexyl) prop-2-enoate

C14H24O3 — CID 58734591

IUPAC(1-butyl-2-methoxycyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1(CCCC)CCCCC1OC
InChIInChI=1S/C14H24O3/c1-4-6-10-14(17-13(15)5-2)11-8-7-9-12(14)16-3/h5,12H,2,4,6-11H2,1,3H3
InChIKeyJUMORQQJPYHTJP-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.23
Rot. Bonds6

About (1-butyl-2-methoxycyclohexyl) prop-2-enoate

(1-butyl-2-methoxycyclohexyl) prop-2-enoate (PubChem CID 58734591) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (1-butyl-2-methoxycyclohexyl) prop-2-enoate.

Molecular Properties

Compound Name(1-butyl-2-methoxycyclohexyl) prop-2-enoate
PubChem CID58734591
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(1-butyl-2-methoxycyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1(CCCC)CCCCC1OC
InChIInChI=1S/C14H24O3/c1-4-6-10-14(17-13(15)5-2)11-8-7-9-12(14)16-3/h5,12H,2,4,6-11H2,1,3H3
InChIKeyJUMORQQJPYHTJP-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (1-butyl-2-methoxycyclohexyl) prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-pentyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-yl) prop-2-enoate
CID 164546613
2-methoxy-1-pentylcyclohexan-1-ol
CID 106873594
(1-propylcyclononyl) prop-2-enoate
CID 141276110
2-O-dodecyl 1-O-nonyl 1-prop-2-enoyloxycyclohexane-1,2-dicarboxylate
CID 174499313
2-O-dodecyl 1-O-heptyl 1-prop-2-enoyloxycyclohexane-1,2-dicarboxylate
CID 174485179
(1-butan-2-yl-4-methylcyclohexyl) prop-2-enoate;(2,6-dimethyl-1-propylcyclohexyl) 2-methylprop-2-enoate;(2,6-dimethyl-1-propylcyclohexyl) prop-2-enoate;(1-ethyl-2,6-dimethylcyclohexyl) 2-methylprop-2-enoate;(1-ethyl-2,6-dimethylcyclohexyl) prop-2-enoate;(1-ethyl-2-methoxycyclohexyl) 2-methylprop-2-enoate;(1-ethyl-2-methoxycyclohexyl) prop-2-enoate;(2-methoxy-1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(2-methoxy-1-propan-2-ylcyclohexyl) prop-2-enoate;(2-methoxy-1-propylcyclohexyl) 2-methylprop-2-enoate;(2-methoxy-1-propylcyclohexyl) prop-2-enoate;(4-methyl-1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate
CID 165022990
2-(1-hydroxy-2-methoxycyclohexyl)hexanoic acid
CID 106874319
ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate
CID 141101003
(2,2-dihydroxycyclohexyl) prop-2-enoate
CID 156755647
1-bicyclo[4.4.3]tridecanyl prop-2-enoate
CID 169221780
1-prop-2-enoyloxy-2-propoxycarbonylcyclohexane-1-carboxylic acid
CID 174501872
(1-butyl-2,3,3a,4,5,6,7,7a-octahydroinden-1-yl) 2-methylprop-2-enoate
CID 164546899

Frequently Asked Questions

What is the IUPAC name of (1-butyl-2-methoxycyclohexyl) prop-2-enoate?
The IUPAC name of (1-butyl-2-methoxycyclohexyl) prop-2-enoate (CID 58734591) is (1-butyl-2-methoxycyclohexyl) prop-2-enoate.
What is the SMILES notation for (1-butyl-2-methoxycyclohexyl) prop-2-enoate?
The canonical SMILES for (1-butyl-2-methoxycyclohexyl) prop-2-enoate is C=CC(=O)OC1(CCCC)CCCCC1OC.
What is the InChIKey of (1-butyl-2-methoxycyclohexyl) prop-2-enoate?
The InChIKey is JUMORQQJPYHTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-6-10-14(17-13(15)5-2)11-8-7-9-12(14)16-3/h5,12H,2,4,6-11H2,1,3H3.
What are the key properties of (1-butyl-2-methoxycyclohexyl) prop-2-enoate?
(1-butyl-2-methoxycyclohexyl) prop-2-enoate has a molecular weight of 240.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-2-methoxycyclohexyl) prop-2-enoate is sourced from PubChem (CID 58734591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).