[(2E)-4,4-dimethyl-2-(2-methylpropylidene)cyclopentyl] acetate

C13H22O2 — CID 139263741

IUPAC[(2E)-4,4-dimethyl-2-(2-methylpropylidene)cyclopentyl] acetate
SMILESCC(=O)OC1CC(C)(C)C/C1=C\C(C)C
InChIInChI=1S/C13H22O2/c1-9(2)6-11-7-13(4,5)8-12(11)15-10(3)14/h6,9,12H,7-8H2,1-5H3/b11-6+
InChIKeyWSLFVYFYJIGEFT-IZZDOVSWSA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds2

About [(2E)-4,4-dimethyl-2-(2-methylpropylidene)cyclopentyl] acetate

[(2E)-4,4-dimethyl-2-(2-methylpropylidene)cyclopentyl] acetate (PubChem CID 139263741) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is [(2E)-4,4-dimethyl-2-(2-methylpropylidene)cyclopentyl] acetate.

Molecular Properties

Compound Name[(2E)-4,4-dimethyl-2-(2-methylpropylidene)cyclopentyl] acetate
PubChem CID139263741
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name[(2E)-4,4-dimethyl-2-(2-methylpropylidene)cyclopentyl] acetate
SMILESCC(=O)OC1CC(C)(C)C/C1=C\C(C)C
InChIInChI=1S/C13H22O2/c1-9(2)6-11-7-13(4,5)8-12(11)15-10(3)14/h6,9,12H,7-8H2,1-5H3/b11-6+
InChIKeyWSLFVYFYJIGEFT-IZZDOVSWSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.32
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)-4,4-dimethyl-2-(2-methylpropylidene)cyclopentyl] acetate?
The IUPAC name of [(2E)-4,4-dimethyl-2-(2-methylpropylidene)cyclopentyl] acetate (CID 139263741) is [(2E)-4,4-dimethyl-2-(2-methylpropylidene)cyclopentyl] acetate.
What is the SMILES notation for [(2E)-4,4-dimethyl-2-(2-methylpropylidene)cyclopentyl] acetate?
The canonical SMILES for [(2E)-4,4-dimethyl-2-(2-methylpropylidene)cyclopentyl] acetate is CC(=O)OC1CC(C)(C)C/C1=C\C(C)C.
What is the InChIKey of [(2E)-4,4-dimethyl-2-(2-methylpropylidene)cyclopentyl] acetate?
The InChIKey is WSLFVYFYJIGEFT-IZZDOVSWSA-N. The full InChI is InChI=1S/C13H22O2/c1-9(2)6-11-7-13(4,5)8-12(11)15-10(3)14/h6,9,12H,7-8H2,1-5H3/b11-6+.
What are the key properties of [(2E)-4,4-dimethyl-2-(2-methylpropylidene)cyclopentyl] acetate?
[(2E)-4,4-dimethyl-2-(2-methylpropylidene)cyclopentyl] acetate has a molecular weight of 210.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-4,4-dimethyl-2-(2-methylpropylidene)cyclopentyl] acetate is sourced from PubChem (CID 139263741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).