ethyl 1-prop-2-enylcyclopentane-1-carboxylate

C11H18O2 — CID 134988082

IUPACethyl 1-prop-2-enylcyclopentane-1-carboxylate
SMILESC=CCC1(C(=O)OCC)CCCC1
InChIInChI=1S/C11H18O2/c1-3-7-11(8-5-6-9-11)10(12)13-4-2/h3H,1,4-9H2,2H3
InChIKeyUIZOOYJDZAEHGO-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds4

About ethyl 1-prop-2-enylcyclopentane-1-carboxylate

ethyl 1-prop-2-enylcyclopentane-1-carboxylate (PubChem CID 134988082) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl 1-prop-2-enylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-prop-2-enylcyclopentane-1-carboxylate
PubChem CID134988082
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl 1-prop-2-enylcyclopentane-1-carboxylate
SMILESC=CCC1(C(=O)OCC)CCCC1
InChIInChI=1S/C11H18O2/c1-3-7-11(8-5-6-9-11)10(12)13-4-2/h3H,1,4-9H2,2H3
InChIKeyUIZOOYJDZAEHGO-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.69
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

2-Cyclopentene-1-acetic acid, 2-ethylbutyl ester
CID 21149847
2-Cyclopentene-1-acetic acid, alpha-2-propen-1-yl-, ethyl ester
CID 21149607
2-Carbethoxy-2-allylcyclopentanone
CID 10910452
Ethyl 2,2-dimethylhex-5-enoate
CID 14906730
Butyl (3S)-3-methyl-7-octenoate
CID 46910864
ethyl 1-[(E)-hept-2-enyl]-2-oxocyclopentane-1-carboxylate
CID 14168350
2-Ethylhexyl 4-pentenoate
CID 129658759
2-(2-Oxo-1-prop-2-enylcyclopentyl)ethyl acetate
CID 10013344
Ethyl 3-ethenylhexanoate
CID 10080811
Diethyl allyl(3-methyl-3-butenyl)malonate
CID 10516051
Ethyl 1-but-3-enyl-2-oxocyclopentane-1-carboxylate
CID 11218061
ethyl (1R)-2-oxo-1-prop-2-enylcyclopentane-1-carboxylate
CID 12320191

Frequently Asked Questions

What is the IUPAC name of ethyl 1-prop-2-enylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-prop-2-enylcyclopentane-1-carboxylate (CID 134988082) is ethyl 1-prop-2-enylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-prop-2-enylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-prop-2-enylcyclopentane-1-carboxylate is C=CCC1(C(=O)OCC)CCCC1.
What is the InChIKey of ethyl 1-prop-2-enylcyclopentane-1-carboxylate?
The InChIKey is UIZOOYJDZAEHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-7-11(8-5-6-9-11)10(12)13-4-2/h3H,1,4-9H2,2H3.
What are the key properties of ethyl 1-prop-2-enylcyclopentane-1-carboxylate?
ethyl 1-prop-2-enylcyclopentane-1-carboxylate has a molecular weight of 182.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-prop-2-enylcyclopentane-1-carboxylate is sourced from PubChem (CID 134988082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).