[(1S,2S)-1,2-dimethyl-2-(4-methylphenyl)cyclopentyl]methyl acetate

C17H24O2 — CID 11086515

IUPAC[(1S,2S)-1,2-dimethyl-2-(4-methylphenyl)cyclopentyl]methyl acetate
SMILESCC(=O)OC[C@@]1(C)CCC[C@@]1(C)c1ccc(C)cc1
InChIInChI=1S/C17H24O2/c1-13-6-8-15(9-7-13)17(4)11-5-10-16(17,3)12-19-14(2)18/h6-9H,5,10-12H2,1-4H3/t16-,17+/m1/s1
InChIKeyZHOBFAUFESISCM-SJORKVTESA-N
MW260.38 g/mol
LogP4.01
Rot. Bonds3

About [(1S,2S)-1,2-dimethyl-2-(4-methylphenyl)cyclopentyl]methyl acetate

[(1S,2S)-1,2-dimethyl-2-(4-methylphenyl)cyclopentyl]methyl acetate (PubChem CID 11086515) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is [(1S,2S)-1,2-dimethyl-2-(4-methylphenyl)cyclopentyl]methyl acetate.

Molecular Properties

Compound Name[(1S,2S)-1,2-dimethyl-2-(4-methylphenyl)cyclopentyl]methyl acetate
PubChem CID11086515
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name[(1S,2S)-1,2-dimethyl-2-(4-methylphenyl)cyclopentyl]methyl acetate
SMILESCC(=O)OC[C@@]1(C)CCC[C@@]1(C)c1ccc(C)cc1
InChIInChI=1S/C17H24O2/c1-13-6-8-15(9-7-13)17(4)11-5-10-16(17,3)12-19-14(2)18/h6-9H,5,10-12H2,1-4H3/t16-,17+/m1/s1
InChIKeyZHOBFAUFESISCM-SJORKVTESA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1,2-dimethyl-2-(4-methylphenyl)cyclopentyl]methyl acetate?
The IUPAC name of [(1S,2S)-1,2-dimethyl-2-(4-methylphenyl)cyclopentyl]methyl acetate (CID 11086515) is [(1S,2S)-1,2-dimethyl-2-(4-methylphenyl)cyclopentyl]methyl acetate.
What is the SMILES notation for [(1S,2S)-1,2-dimethyl-2-(4-methylphenyl)cyclopentyl]methyl acetate?
The canonical SMILES for [(1S,2S)-1,2-dimethyl-2-(4-methylphenyl)cyclopentyl]methyl acetate is CC(=O)OC[C@@]1(C)CCC[C@@]1(C)c1ccc(C)cc1.
What is the InChIKey of [(1S,2S)-1,2-dimethyl-2-(4-methylphenyl)cyclopentyl]methyl acetate?
The InChIKey is ZHOBFAUFESISCM-SJORKVTESA-N. The full InChI is InChI=1S/C17H24O2/c1-13-6-8-15(9-7-13)17(4)11-5-10-16(17,3)12-19-14(2)18/h6-9H,5,10-12H2,1-4H3/t16-,17+/m1/s1.
What are the key properties of [(1S,2S)-1,2-dimethyl-2-(4-methylphenyl)cyclopentyl]methyl acetate?
[(1S,2S)-1,2-dimethyl-2-(4-methylphenyl)cyclopentyl]methyl acetate has a molecular weight of 260.38 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1,2-dimethyl-2-(4-methylphenyl)cyclopentyl]methyl acetate is sourced from PubChem (CID 11086515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).