[(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol

C9H16O — CID 167184957

IUPAC[(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol
SMILESCC1=C[C@H](CO)C(C)(C)C1
InChIInChI=1S/C9H16O/c1-7-4-8(6-10)9(2,3)5-7/h4,8,10H,5-6H2,1-3H3/t8-/m1/s1
InChIKeyVTTCVFSXTLCYNS-MRVPVSSYSA-N
MW140.23 g/mol
LogP1.97
Rot. Bonds1

About [(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol

[(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol (PubChem CID 167184957) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is [(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol
PubChem CID167184957
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name[(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol
SMILESCC1=C[C@H](CO)C(C)(C)C1
InChIInChI=1S/C9H16O/c1-7-4-8(6-10)9(2,3)5-7/h4,8,10H,5-6H2,1-3H3/t8-/m1/s1
InChIKeyVTTCVFSXTLCYNS-MRVPVSSYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 [(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol (CID 167184957) is [(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol is CC1=C[C@H](CO)C(C)(C)C1.
What is the InChIKey of [(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol?
The InChIKey is VTTCVFSXTLCYNS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-4-8(6-10)9(2,3)5-7/h4,8,10H,5-6H2,1-3H3/t8-/m1/s1.
What are the key properties of [(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol?
[(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol has a molecular weight of 140.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 167184957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).