(1,2,3-trimethylcyclopent-2-en-1-yl)methanol

C9H16O — CID 572946

IUPAC(1,2,3-trimethylcyclopent-2-en-1-yl)methanol
SMILESCC1=C(C)C(C)(CO)CC1
InChIInChI=1S/C9H16O/c1-7-4-5-9(3,6-10)8(7)2/h10H,4-6H2,1-3H3
InChIKeyRCYSLGXVHPROCP-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.12
Rot. Bonds1

About (1,2,3-trimethylcyclopent-2-en-1-yl)methanol

(1,2,3-trimethylcyclopent-2-en-1-yl)methanol (PubChem CID 572946) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1,2,3-trimethylcyclopent-2-en-1-yl)methanol.

Molecular Properties

Compound Name(1,2,3-trimethylcyclopent-2-en-1-yl)methanol
PubChem CID572946
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1,2,3-trimethylcyclopent-2-en-1-yl)methanol
SMILESCC1=C(C)C(C)(CO)CC1
InChIInChI=1S/C9H16O/c1-7-4-5-9(3,6-10)8(7)2/h10H,4-6H2,1-3H3
InChIKeyRCYSLGXVHPROCP-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
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 (1,2,3-trimethylcyclopent-2-en-1-yl)methanol?
The IUPAC name of (1,2,3-trimethylcyclopent-2-en-1-yl)methanol (CID 572946) is (1,2,3-trimethylcyclopent-2-en-1-yl)methanol.
What is the SMILES notation for (1,2,3-trimethylcyclopent-2-en-1-yl)methanol?
The canonical SMILES for (1,2,3-trimethylcyclopent-2-en-1-yl)methanol is CC1=C(C)C(C)(CO)CC1.
What is the InChIKey of (1,2,3-trimethylcyclopent-2-en-1-yl)methanol?
The InChIKey is RCYSLGXVHPROCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-4-5-9(3,6-10)8(7)2/h10H,4-6H2,1-3H3.
What are the key properties of (1,2,3-trimethylcyclopent-2-en-1-yl)methanol?
(1,2,3-trimethylcyclopent-2-en-1-yl)methanol has a molecular weight of 140.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,3-trimethylcyclopent-2-en-1-yl)methanol is sourced from PubChem (CID 572946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).