2-(1-hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one

C13H22O2 — CID 10488674

IUPAC2-(1-hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one
SMILESC=CCC(C)(C)C(O)C1C(=O)CCC1C
InChIInChI=1S/C13H22O2/c1-5-8-13(3,4)12(15)11-9(2)6-7-10(11)14/h5,9,11-12,15H,1,6-8H2,2-4H3
InChIKeyVVENPTVRKHKAGN-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.56
Rot. Bonds4

About 2-(1-hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one

2-(1-hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one (PubChem CID 10488674) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(1-hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one.

Molecular Properties

Compound Name2-(1-hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one
PubChem CID10488674
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-(1-hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one
SMILESC=CCC(C)(C)C(O)C1C(=O)CCC1C
InChIInChI=1S/C13H22O2/c1-5-8-13(3,4)12(15)11-9(2)6-7-10(11)14/h5,9,11-12,15H,1,6-8H2,2-4H3
InChIKeyVVENPTVRKHKAGN-UHFFFAOYSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(1-hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one?
The IUPAC name of 2-(1-hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one (CID 10488674) is 2-(1-hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one.
What is the SMILES notation for 2-(1-hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one?
The canonical SMILES for 2-(1-hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one is C=CCC(C)(C)C(O)C1C(=O)CCC1C.
What is the InChIKey of 2-(1-hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one?
The InChIKey is VVENPTVRKHKAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-8-13(3,4)12(15)11-9(2)6-7-10(11)14/h5,9,11-12,15H,1,6-8H2,2-4H3.
What are the key properties of 2-(1-hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one?
2-(1-hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one has a molecular weight of 210.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one is sourced from PubChem (CID 10488674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).