5-methoxy-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-one

C15H26O2 — CID 58937308

IUPAC5-methoxy-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-one
SMILESCCC(=O)CC(CC1CC=C(C)C1(C)C)OC
InChIInChI=1S/C15H26O2/c1-6-13(16)10-14(17-5)9-12-8-7-11(2)15(12,3)4/h7,12,14H,6,8-10H2,1-5H3
InChIKeyYKGKPDPNQFGANY-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.75
Rot. Bonds6

About 5-methoxy-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-one

5-methoxy-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-one (PubChem CID 58937308) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-methoxy-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-one.

Molecular Properties

Compound Name5-methoxy-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-one
PubChem CID58937308
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name5-methoxy-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-one
SMILESCCC(=O)CC(CC1CC=C(C)C1(C)C)OC
InChIInChI=1S/C15H26O2/c1-6-13(16)10-14(17-5)9-12-8-7-11(2)15(12,3)4/h7,12,14H,6,8-10H2,1-5H3
InChIKeyYKGKPDPNQFGANY-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

9-Undecen-2-one, 4-hydroxy-3,6,10-trimethyl-
CID 109182
5-Hydroxy-7,11-dimethyldodec-10-en-3-one
CID 111441
1-[3-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-oxiranyl]ethanone
CID 538944
4-Hydroxy-6,10-dimethylundec-9-en-2-one
CID 24806326
trans-methyl (1S,2R)-1-methyl-2-[(2R)-6-methylhept-5-en-2-yl]-5-oxocyclopentane-1-carboxylate
CID 10492005
5-hydroxy-4-methyl-6-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hexan-3-one
CID 117945041
(4E,8R)-8-(1-methoxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one
CID 134879223
4-Hydroxy-4-(4,6-dimethylcyclohex-3-enyl)butan-2-one
CID 538541
2-[(1R)-2,2-dimethyl-3-(3-oxobutyl)cyclopent-3-en-1-yl]acetaldehyde
CID 10104503
1-[(2S,3R)-3-(2,6,6-trimethylcyclohex-2-en-1-yl)oxiran-2-yl]ethanone
CID 10976700
(4S)-4-hydroxy-4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one
CID 11846610
2-[(1R)-2,2-dimethyl-3-(2-oxobutyl)cyclopent-3-en-1-yl]acetaldehyde
CID 15463303

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-one?
The IUPAC name of 5-methoxy-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-one (CID 58937308) is 5-methoxy-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-one.
What is the SMILES notation for 5-methoxy-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-one?
The canonical SMILES for 5-methoxy-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-one is CCC(=O)CC(CC1CC=C(C)C1(C)C)OC.
What is the InChIKey of 5-methoxy-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-one?
The InChIKey is YKGKPDPNQFGANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-13(16)10-14(17-5)9-12-8-7-11(2)15(12,3)4/h7,12,14H,6,8-10H2,1-5H3.
What are the key properties of 5-methoxy-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-one?
5-methoxy-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-one has a molecular weight of 238.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-one is sourced from PubChem (CID 58937308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).