[(5E)-5-ethylidene-2,2-dimethylcyclopentyl] acetate

C11H18O2 — CID 10035268

IUPAC[(5E)-5-ethylidene-2,2-dimethylcyclopentyl] acetate
SMILESC/C=C1\CCC(C)(C)C1OC(C)=O
InChIInChI=1S/C11H18O2/c1-5-9-6-7-11(3,4)10(9)13-8(2)12/h5,10H,6-7H2,1-4H3/b9-5+
InChIKeyLAWDOLSMYKSKQV-WEVVVXLNSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds1

About [(5E)-5-ethylidene-2,2-dimethylcyclopentyl] acetate

[(5E)-5-ethylidene-2,2-dimethylcyclopentyl] acetate (PubChem CID 10035268) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [(5E)-5-ethylidene-2,2-dimethylcyclopentyl] acetate.

Molecular Properties

Compound Name[(5E)-5-ethylidene-2,2-dimethylcyclopentyl] acetate
PubChem CID10035268
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[(5E)-5-ethylidene-2,2-dimethylcyclopentyl] acetate
SMILESC/C=C1\CCC(C)(C)C1OC(C)=O
InChIInChI=1S/C11H18O2/c1-5-9-6-7-11(3,4)10(9)13-8(2)12/h5,10H,6-7H2,1-4H3/b9-5+
InChIKeyLAWDOLSMYKSKQV-WEVVVXLNSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
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

beta-Isocyclolavandulyl acetate
CID 91750007
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CID 10976128
[(5E)-2,2-dimethyl-5-(2-methylpropylidene)cyclopentyl] acetate
CID 11820441
(3,4,4-Trimethylcyclopent-2-en-1-yl) acetate
CID 46944496
2,4,4-Trimethyl-2-cyclohexen-1-ol acetate
CID 10607507
(4,5,5-Trimethyl-3-methylidenecyclopenten-1-yl)methyl acetate
CID 146571915
[2-(Cyclohex-3-en-1-ylmethylidene)cyclopentyl] acetate
CID 150414160
[(1S)-1-(4,4-dimethylcyclopenten-1-yl)prop-2-ynyl] 2,2-dimethylpropanoate
CID 102399236
[(1S,7aS)-1-acetyloxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-yl] acetate
CID 134889830
[(2E)-2-ethylidene-4,4-dimethylcyclopentyl] acetate
CID 139263740
[(2E)-4,4-dimethyl-2-(2-methylpropylidene)cyclopentyl] acetate
CID 139263741
2-(2-(2,2,3-Trimethyl-3-cyclopenten-1-yl)ethylidene)-1-pentyl acetate
CID 44149977

Frequently Asked Questions

What is the IUPAC name of [(5E)-5-ethylidene-2,2-dimethylcyclopentyl] acetate?
The IUPAC name of [(5E)-5-ethylidene-2,2-dimethylcyclopentyl] acetate (CID 10035268) is [(5E)-5-ethylidene-2,2-dimethylcyclopentyl] acetate.
What is the SMILES notation for [(5E)-5-ethylidene-2,2-dimethylcyclopentyl] acetate?
The canonical SMILES for [(5E)-5-ethylidene-2,2-dimethylcyclopentyl] acetate is C/C=C1\CCC(C)(C)C1OC(C)=O.
What is the InChIKey of [(5E)-5-ethylidene-2,2-dimethylcyclopentyl] acetate?
The InChIKey is LAWDOLSMYKSKQV-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-9-6-7-11(3,4)10(9)13-8(2)12/h5,10H,6-7H2,1-4H3/b9-5+.
What are the key properties of [(5E)-5-ethylidene-2,2-dimethylcyclopentyl] acetate?
[(5E)-5-ethylidene-2,2-dimethylcyclopentyl] acetate has a molecular weight of 182.26 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E)-5-ethylidene-2,2-dimethylcyclopentyl] acetate is sourced from PubChem (CID 10035268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).