4-hydroxy-4-(6-methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one

C15H26O3 — CID 154214260

IUPAC4-hydroxy-4-(6-methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one
SMILESCOC(C)(C)CCCC(C)CC1(O)C=CC(=O)C1
InChIInChI=1S/C15H26O3/c1-12(6-5-8-14(2,3)18-4)10-15(17)9-7-13(16)11-15/h7,9,12,17H,5-6,8,10-11H2,1-4H3
InChIKeyORDMNUYENQAQDJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.87
Rot. Bonds7

About 4-hydroxy-4-(6-methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one

4-hydroxy-4-(6-methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one (PubChem CID 154214260) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-hydroxy-4-(6-methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-4-(6-methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one
PubChem CID154214260
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name4-hydroxy-4-(6-methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one
SMILESCOC(C)(C)CCCC(C)CC1(O)C=CC(=O)C1
InChIInChI=1S/C15H26O3/c1-12(6-5-8-14(2,3)18-4)10-15(17)9-7-13(16)11-15/h7,9,12,17H,5-6,8,10-11H2,1-4H3
InChIKeyORDMNUYENQAQDJ-UHFFFAOYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-Hydroxyisodavanone D
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Hydroxydavanone
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3-Hydroxybisabola-1,10-dien-9-one
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trans-Hydroxydavanone
CID 102441806
(4S)-4-hydroxy-2,3-dimethyl-5-methylidene-4-pentylcyclopent-2-en-1-one
CID 155549594
(3R,5R,8R)-3-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-2,4,5,6,7,8-hexahydroazulen-1-one
CID 101700054
2-Cyclohexen-1-one, 2-(1-hydroxy-1-methylethyl)-5-methyl-, (5R)-
CID 11062797
8-Hydroxy-p-menth-4-en-3-one
CID 556628
3-Hydroxy-1,10-bisaboladien-9-one
CID 14633003
(4S,5S)-5-(ethoxymethyl)-4-hydroxy-2,3-dimethyl-4-pentylcyclopent-2-en-1-one
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Nardoguaianone J
CID 5320011

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(6-methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-4-(6-methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one (CID 154214260) is 4-hydroxy-4-(6-methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-4-(6-methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-4-(6-methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one is COC(C)(C)CCCC(C)CC1(O)C=CC(=O)C1.
What is the InChIKey of 4-hydroxy-4-(6-methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one?
The InChIKey is ORDMNUYENQAQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-12(6-5-8-14(2,3)18-4)10-15(17)9-7-13(16)11-15/h7,9,12,17H,5-6,8,10-11H2,1-4H3.
What are the key properties of 4-hydroxy-4-(6-methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one?
4-hydroxy-4-(6-methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one has a molecular weight of 254.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(6-methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one is sourced from PubChem (CID 154214260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).