7-cyclopentyl-6-hydroxyheptan-3-one

C12H22O2 — CID 103159212

IUPAC7-cyclopentyl-6-hydroxyheptan-3-one
SMILESCCC(=O)CCC(O)CC1CCCC1
InChIInChI=1S/C12H22O2/c1-2-11(13)7-8-12(14)9-10-5-3-4-6-10/h10,12,14H,2-9H2,1H3
InChIKeyKOMNSUWMCFFVQO-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.69
Rot. Bonds6

About 7-cyclopentyl-6-hydroxyheptan-3-one

7-cyclopentyl-6-hydroxyheptan-3-one (PubChem CID 103159212) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 7-cyclopentyl-6-hydroxyheptan-3-one.

Molecular Properties

Compound Name7-cyclopentyl-6-hydroxyheptan-3-one
PubChem CID103159212
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name7-cyclopentyl-6-hydroxyheptan-3-one
SMILESCCC(=O)CCC(O)CC1CCCC1
InChIInChI=1S/C12H22O2/c1-2-11(13)7-8-12(14)9-10-5-3-4-6-10/h10,12,14H,2-9H2,1H3
InChIKeyKOMNSUWMCFFVQO-UHFFFAOYSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-hydroxyoctan-3-one
CID 15920952
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
1-cycloheptyl-5-methylhexan-2-ol
CID 115783773
1-cycloheptyloctan-2-ol
CID 115783533
1-cyclopentyl-4-ethylsulfanylbutan-2-ol
CID 116504666
1-cyclopentyl-7-methyloctane-2,5-diol
CID 103160953
1-cyclopentyl-4-methylsulfanylbutan-2-ol
CID 65148807
5-cyclopentyl-4-hydroxy-2-propylpentanoic acid
CID 103159525
1-cycloheptylhept-5-yn-2-ol
CID 115833770
1-cyclobutylhex-5-yn-2-ol
CID 103170011
1-cyclopentyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 103160187
(6S)-6-hydroxyheptan-3-one
CID 163026982

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-6-hydroxyheptan-3-one?
The IUPAC name of 7-cyclopentyl-6-hydroxyheptan-3-one (CID 103159212) is 7-cyclopentyl-6-hydroxyheptan-3-one.
What is the SMILES notation for 7-cyclopentyl-6-hydroxyheptan-3-one?
The canonical SMILES for 7-cyclopentyl-6-hydroxyheptan-3-one is CCC(=O)CCC(O)CC1CCCC1.
What is the InChIKey of 7-cyclopentyl-6-hydroxyheptan-3-one?
The InChIKey is KOMNSUWMCFFVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-11(13)7-8-12(14)9-10-5-3-4-6-10/h10,12,14H,2-9H2,1H3.
What are the key properties of 7-cyclopentyl-6-hydroxyheptan-3-one?
7-cyclopentyl-6-hydroxyheptan-3-one has a molecular weight of 198.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-6-hydroxyheptan-3-one is sourced from PubChem (CID 103159212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).