2-cycloheptylbutan-2-yl prop-2-enoate

C14H24O2 — CID 170992142

IUPAC2-cycloheptylbutan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(CC)C1CCCCCC1
InChIInChI=1S/C14H24O2/c1-4-13(15)16-14(3,5-2)12-10-8-6-7-9-11-12/h4,12H,1,5-11H2,2-3H3
InChIKeyFLTGZOGYQGHLDS-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.85
Rot. Bonds4

About 2-cycloheptylbutan-2-yl prop-2-enoate

2-cycloheptylbutan-2-yl prop-2-enoate (PubChem CID 170992142) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-cycloheptylbutan-2-yl prop-2-enoate.

Molecular Properties

Compound Name2-cycloheptylbutan-2-yl prop-2-enoate
PubChem CID170992142
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-cycloheptylbutan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(CC)C1CCCCCC1
InChIInChI=1S/C14H24O2/c1-4-13(15)16-14(3,5-2)12-10-8-6-7-9-11-12/h4,12H,1,5-11H2,2-3H3
InChIKeyFLTGZOGYQGHLDS-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cycloheptylbutan-2-yl 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

1,1-dicyclohexylethyl prop-2-enoate
CID 23450575
2-cyclooctylbutan-2-yl acetate
CID 177097469
2-cyclohexylbutan-2-yl methylsulfanylformate
CID 91161671
2-cyclopentylbutan-2-yl 2-methylpropanoate
CID 59782925
2-cyclohexylbutan-2-yl 2-acetyloxyacetate
CID 123313705
2-cyclohexylbutan-2-yl 2-iodobutanoate
CID 134565455
tert-butyl prop-2-enoate;cyclohexanol
CID 135319447
tert-butyl prop-2-enoate;cyclopentatetracontane
CID 174869509
tert-butyl prop-2-enoate;cycloicosane
CID 174934602
tert-butyl prop-2-enoate;cyclononadecane
CID 174964635
[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate
CID 58734454
2-propoxybutan-2-ylcyclopentane
CID 158420288

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylbutan-2-yl prop-2-enoate?
The IUPAC name of 2-cycloheptylbutan-2-yl prop-2-enoate (CID 170992142) is 2-cycloheptylbutan-2-yl prop-2-enoate.
What is the SMILES notation for 2-cycloheptylbutan-2-yl prop-2-enoate?
The canonical SMILES for 2-cycloheptylbutan-2-yl prop-2-enoate is C=CC(=O)OC(C)(CC)C1CCCCCC1.
What is the InChIKey of 2-cycloheptylbutan-2-yl prop-2-enoate?
The InChIKey is FLTGZOGYQGHLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-13(15)16-14(3,5-2)12-10-8-6-7-9-11-12/h4,12H,1,5-11H2,2-3H3.
What are the key properties of 2-cycloheptylbutan-2-yl prop-2-enoate?
2-cycloheptylbutan-2-yl prop-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylbutan-2-yl prop-2-enoate is sourced from PubChem (CID 170992142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).