[(1R,3S)-1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopentyl] acetate

C15H26O2 — CID 70473821

IUPAC[(1R,3S)-1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopentyl] acetate
SMILESCC(=O)O[C@]1(C)CC[C@@H](CC=C(C)C)C1(C)C
InChIInChI=1S/C15H26O2/c1-11(2)7-8-13-9-10-15(6,14(13,4)5)17-12(3)16/h7,13H,8-10H2,1-6H3/t13-,15-/m1/s1
InChIKeyKOXQSOHFHGKLCF-UKRRQHHQSA-N
MW238.37 g/mol
LogP4.10
Rot. Bonds3

About [(1R,3S)-1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopentyl] acetate

[(1R,3S)-1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopentyl] acetate (PubChem CID 70473821) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(1R,3S)-1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopentyl] acetate.

Molecular Properties

Compound Name[(1R,3S)-1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopentyl] acetate
PubChem CID70473821
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(1R,3S)-1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopentyl] acetate
SMILESCC(=O)O[C@]1(C)CC[C@@H](CC=C(C)C)C1(C)C
InChIInChI=1S/C15H26O2/c1-11(2)7-8-13-9-10-15(6,14(13,4)5)17-12(3)16/h7,13H,8-10H2,1-6H3/t13-,15-/m1/s1
InChIKeyKOXQSOHFHGKLCF-UKRRQHHQSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.10
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 [(1R,3S)-1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopentyl] acetate?
The IUPAC name of [(1R,3S)-1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopentyl] acetate (CID 70473821) is [(1R,3S)-1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopentyl] acetate.
What is the SMILES notation for [(1R,3S)-1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopentyl] acetate?
The canonical SMILES for [(1R,3S)-1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopentyl] acetate is CC(=O)O[C@]1(C)CC[C@@H](CC=C(C)C)C1(C)C.
What is the InChIKey of [(1R,3S)-1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopentyl] acetate?
The InChIKey is KOXQSOHFHGKLCF-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(2)7-8-13-9-10-15(6,14(13,4)5)17-12(3)16/h7,13H,8-10H2,1-6H3/t13-,15-/m1/s1.
What are the key properties of [(1R,3S)-1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopentyl] acetate?
[(1R,3S)-1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopentyl] acetate has a molecular weight of 238.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1,2,2-trimethyl-3-(3-methylbut-2-enyl)cyclopentyl] acetate is sourced from PubChem (CID 70473821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).