1-(cyclohepten-1-yl)-4-hydroxypentan-1-one

C12H20O2 — CID 134922454

IUPAC1-(cyclohepten-1-yl)-4-hydroxypentan-1-one
SMILESCC(O)CCC(=O)C1=CCCCCC1
InChIInChI=1S/C12H20O2/c1-10(13)8-9-12(14)11-6-4-2-3-5-7-11/h6,10,13H,2-5,7-9H2,1H3
InChIKeyNJOLIHPDAWTFSN-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.61
Rot. Bonds4

About 1-(cyclohepten-1-yl)-4-hydroxypentan-1-one

1-(cyclohepten-1-yl)-4-hydroxypentan-1-one (PubChem CID 134922454) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-4-hydroxypentan-1-one.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-4-hydroxypentan-1-one
PubChem CID134922454
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-(cyclohepten-1-yl)-4-hydroxypentan-1-one
SMILESCC(O)CCC(=O)C1=CCCCCC1
InChIInChI=1S/C12H20O2/c1-10(13)8-9-12(14)11-6-4-2-3-5-7-11/h6,10,13H,2-5,7-9H2,1H3
InChIKeyNJOLIHPDAWTFSN-UHFFFAOYSA-N
XLogP2.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(7e)-7-Ethyl-4-hydroxyundec-7-ene-3,6-dione
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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-4-hydroxypentan-1-one?
The IUPAC name of 1-(cyclohepten-1-yl)-4-hydroxypentan-1-one (CID 134922454) is 1-(cyclohepten-1-yl)-4-hydroxypentan-1-one.
What is the SMILES notation for 1-(cyclohepten-1-yl)-4-hydroxypentan-1-one?
The canonical SMILES for 1-(cyclohepten-1-yl)-4-hydroxypentan-1-one is CC(O)CCC(=O)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-4-hydroxypentan-1-one?
The InChIKey is NJOLIHPDAWTFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10(13)8-9-12(14)11-6-4-2-3-5-7-11/h6,10,13H,2-5,7-9H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-4-hydroxypentan-1-one?
1-(cyclohepten-1-yl)-4-hydroxypentan-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-4-hydroxypentan-1-one is sourced from PubChem (CID 134922454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).