3-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol

C13H24O — CID 121232761

IUPAC3-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol
SMILESCC1=CCC(CC(C)C(C)O)C1(C)C
InChIInChI=1S/C13H24O/c1-9(11(3)14)8-12-7-6-10(2)13(12,4)5/h6,9,11-12,14H,7-8H2,1-5H3
InChIKeyKIFXFEPQLGDGAP-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.39
Rot. Bonds3

About 3-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol

3-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol (PubChem CID 121232761) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 3-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol
PubChem CID121232761
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name3-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol
SMILESCC1=CCC(CC(C)C(C)O)C1(C)C
InChIInChI=1S/C13H24O/c1-9(11(3)14)8-12-7-6-10(2)13(12,4)5/h6,9,11-12,14H,7-8H2,1-5H3
InChIKeyKIFXFEPQLGDGAP-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.39
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 3-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol?
The IUPAC name of 3-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol (CID 121232761) is 3-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol.
What is the SMILES notation for 3-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol?
The canonical SMILES for 3-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol is CC1=CCC(CC(C)C(C)O)C1(C)C.
What is the InChIKey of 3-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol?
The InChIKey is KIFXFEPQLGDGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-9(11(3)14)8-12-7-6-10(2)13(12,4)5/h6,9,11-12,14H,7-8H2,1-5H3.
What are the key properties of 3-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol?
3-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol has a molecular weight of 196.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol is sourced from PubChem (CID 121232761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).