[(2E)-2-ethylidene-4,4-dimethylcyclopentyl] acetate

C11H18O2 — CID 139263740

IUPAC[(2E)-2-ethylidene-4,4-dimethylcyclopentyl] acetate
SMILESC/C=C1\CC(C)(C)CC1OC(C)=O
InChIInChI=1S/C11H18O2/c1-5-9-6-11(3,4)7-10(9)13-8(2)12/h5,10H,6-7H2,1-4H3/b9-5+
InChIKeyRTBXEAVHWDELTI-WEVVVXLNSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds1

About [(2E)-2-ethylidene-4,4-dimethylcyclopentyl] acetate

[(2E)-2-ethylidene-4,4-dimethylcyclopentyl] acetate (PubChem CID 139263740) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [(2E)-2-ethylidene-4,4-dimethylcyclopentyl] acetate.

Molecular Properties

Compound Name[(2E)-2-ethylidene-4,4-dimethylcyclopentyl] acetate
PubChem CID139263740
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[(2E)-2-ethylidene-4,4-dimethylcyclopentyl] acetate
SMILESC/C=C1\CC(C)(C)CC1OC(C)=O
InChIInChI=1S/C11H18O2/c1-5-9-6-11(3,4)7-10(9)13-8(2)12/h5,10H,6-7H2,1-4H3/b9-5+
InChIKeyRTBXEAVHWDELTI-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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Frequently Asked Questions

What is the IUPAC name of [(2E)-2-ethylidene-4,4-dimethylcyclopentyl] acetate?
The IUPAC name of [(2E)-2-ethylidene-4,4-dimethylcyclopentyl] acetate (CID 139263740) is [(2E)-2-ethylidene-4,4-dimethylcyclopentyl] acetate.
What is the SMILES notation for [(2E)-2-ethylidene-4,4-dimethylcyclopentyl] acetate?
The canonical SMILES for [(2E)-2-ethylidene-4,4-dimethylcyclopentyl] acetate is C/C=C1\CC(C)(C)CC1OC(C)=O.
What is the InChIKey of [(2E)-2-ethylidene-4,4-dimethylcyclopentyl] acetate?
The InChIKey is RTBXEAVHWDELTI-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-9-6-11(3,4)7-10(9)13-8(2)12/h5,10H,6-7H2,1-4H3/b9-5+.
What are the key properties of [(2E)-2-ethylidene-4,4-dimethylcyclopentyl] acetate?
[(2E)-2-ethylidene-4,4-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 [(2E)-2-ethylidene-4,4-dimethylcyclopentyl] acetate is sourced from PubChem (CID 139263740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).