1,2,2,3-tetramethylcyclopent-3-en-1-ol

C9H16O — CID 537153

IUPAC1,2,2,3-tetramethylcyclopent-3-en-1-ol
SMILESCC1=CCC(C)(O)C1(C)C
InChIInChI=1S/C9H16O/c1-7-5-6-9(4,10)8(7,2)3/h5,10H,6H2,1-4H3
InChIKeyODKUFQPJLRUDGX-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.11
Rot. Bonds

About 1,2,2,3-tetramethylcyclopent-3-en-1-ol

1,2,2,3-tetramethylcyclopent-3-en-1-ol (PubChem CID 537153) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1,2,2,3-tetramethylcyclopent-3-en-1-ol.

Molecular Properties

Compound Name1,2,2,3-tetramethylcyclopent-3-en-1-ol
PubChem CID537153
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1,2,2,3-tetramethylcyclopent-3-en-1-ol
SMILESCC1=CCC(C)(O)C1(C)C
InChIInChI=1S/C9H16O/c1-7-5-6-9(4,10)8(7,2)3/h5,10H,6H2,1-4H3
InChIKeyODKUFQPJLRUDGX-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.11
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 1,2,2,3-tetramethylcyclopent-3-en-1-ol?
The IUPAC name of 1,2,2,3-tetramethylcyclopent-3-en-1-ol (CID 537153) is 1,2,2,3-tetramethylcyclopent-3-en-1-ol.
What is the SMILES notation for 1,2,2,3-tetramethylcyclopent-3-en-1-ol?
The canonical SMILES for 1,2,2,3-tetramethylcyclopent-3-en-1-ol is CC1=CCC(C)(O)C1(C)C.
What is the InChIKey of 1,2,2,3-tetramethylcyclopent-3-en-1-ol?
The InChIKey is ODKUFQPJLRUDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-5-6-9(4,10)8(7,2)3/h5,10H,6H2,1-4H3.
What are the key properties of 1,2,2,3-tetramethylcyclopent-3-en-1-ol?
1,2,2,3-tetramethylcyclopent-3-en-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethylcyclopent-3-en-1-ol is sourced from PubChem (CID 537153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).