5-hexan-3-yloxy-3,5-dimethylcyclopent-2-en-1-one

C13H22O2 — CID 143147058

IUPAC5-hexan-3-yloxy-3,5-dimethylcyclopent-2-en-1-one
SMILESCCCC(CC)OC1(C)CC(C)=CC1=O
InChIInChI=1S/C13H22O2/c1-5-7-11(6-2)15-13(4)9-10(3)8-12(13)14/h8,11H,5-7,9H2,1-4H3
InChIKeyUVUTXVODJCXFLI-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.26
Rot. Bonds5

About 5-hexan-3-yloxy-3,5-dimethylcyclopent-2-en-1-one

5-hexan-3-yloxy-3,5-dimethylcyclopent-2-en-1-one (PubChem CID 143147058) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-hexan-3-yloxy-3,5-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-hexan-3-yloxy-3,5-dimethylcyclopent-2-en-1-one
PubChem CID143147058
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name5-hexan-3-yloxy-3,5-dimethylcyclopent-2-en-1-one
SMILESCCCC(CC)OC1(C)CC(C)=CC1=O
InChIInChI=1S/C13H22O2/c1-5-7-11(6-2)15-13(4)9-10(3)8-12(13)14/h8,11H,5-7,9H2,1-4H3
InChIKeyUVUTXVODJCXFLI-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4E,8E)-5,9-dimethyl-2-propan-2-yl-1-oxacycloundeca-4,8-diene-3,10-dione
CID 163195494
(5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one
CID 134933023
5-Ethoxy-2,5-dimethylcyclopent-2-en-1-one
CID 135014431
(5S)-5-ethoxy-2,5-dimethylcyclopent-2-en-1-one
CID 135014768
6-Ethoxy-6-methyl-2-cyclohexenone
CID 537457
2-Cyclopenten-1-one, 5-(acetyloxy)-3-methyl-
CID 11309625
1-(2,5-Dimethylcyclopenta-2,4-dien-1-yl)-1-methoxybutan-2-one
CID 67429211
1-(3,3,4-trimethyl-5-prop-2-enoyl-2H-furan-2-yl)propan-1-one
CID 90701295
5-Hexan-3-yloxy-3,5-dimethylcyclopent-2-en-1-one;methylcycloheptane;molecular hydrogen
CID 143147057
2,4-Dimethyl-4-(4-methylpent-3-enoxy)hex-1-en-3-one
CID 146658939
5,9-Dimethyl-2-propan-2-yl-1-oxacycloundeca-4,8-diene-3,10-dione
CID 162980393
(4E,8E)-5,9-dimethyl-2-propan-2-yl-1-oxacycloundeca-4,8-diene-3,10-dione
CID 10106162

Frequently Asked Questions

What is the IUPAC name of 5-hexan-3-yloxy-3,5-dimethylcyclopent-2-en-1-one?
The IUPAC name of 5-hexan-3-yloxy-3,5-dimethylcyclopent-2-en-1-one (CID 143147058) is 5-hexan-3-yloxy-3,5-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for 5-hexan-3-yloxy-3,5-dimethylcyclopent-2-en-1-one?
The canonical SMILES for 5-hexan-3-yloxy-3,5-dimethylcyclopent-2-en-1-one is CCCC(CC)OC1(C)CC(C)=CC1=O.
What is the InChIKey of 5-hexan-3-yloxy-3,5-dimethylcyclopent-2-en-1-one?
The InChIKey is UVUTXVODJCXFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-7-11(6-2)15-13(4)9-10(3)8-12(13)14/h8,11H,5-7,9H2,1-4H3.
What are the key properties of 5-hexan-3-yloxy-3,5-dimethylcyclopent-2-en-1-one?
5-hexan-3-yloxy-3,5-dimethylcyclopent-2-en-1-one has a molecular weight of 210.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexan-3-yloxy-3,5-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 143147058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).