2-(5-hydroxynonan-5-yl)cyclohexan-1-one

C15H28O2 — CID 12938170

IUPAC2-(5-hydroxynonan-5-yl)cyclohexan-1-one
SMILESCCCCC(O)(CCCC)C1CCCCC1=O
InChIInChI=1S/C15H28O2/c1-3-5-11-15(17,12-6-4-2)13-9-7-8-10-14(13)16/h13,17H,3-12H2,1-2H3
InChIKeyBSNXEYDJYCDBQT-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.86
Rot. Bonds7

About 2-(5-hydroxynonan-5-yl)cyclohexan-1-one

2-(5-hydroxynonan-5-yl)cyclohexan-1-one (PubChem CID 12938170) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(5-hydroxynonan-5-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(5-hydroxynonan-5-yl)cyclohexan-1-one
PubChem CID12938170
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-(5-hydroxynonan-5-yl)cyclohexan-1-one
SMILESCCCCC(O)(CCCC)C1CCCCC1=O
InChIInChI=1S/C15H28O2/c1-3-5-11-15(17,12-6-4-2)13-9-7-8-10-14(13)16/h13,17H,3-12H2,1-2H3
InChIKeyBSNXEYDJYCDBQT-UHFFFAOYSA-N
XLogP3.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

alpha-Ethyl-1-hydroxycyclohexaneacetic acid
CID 72065
3-(Hydroxymethyl)-2-octanone
CID 62148
2-Nonanone, 3-(hydroxymethyl)-
CID 106823
2-Propanone, 1-(1-hydroxycyclohexyl)-
CID 91383
Cyclobutoic Acid
CID 71889
4-(2-Hydroxypropan-2-yl)cyclohexan-1-one
CID 15253533
4-Hydroxy-4-(propan-2-yl)cyclohexan-1-one
CID 58641594
8-Hydroxy-p-menthan-3-one
CID 3014189
trans-(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-2-(4-oxopentyl)cyclohexan-1-one
CID 11172838
(4aS,10aS)-4a-hydroxy-2,3,4,5,6,7,8,9,10,10a-decahydrobenzo[8]annulen-1-one
CID 101687715
5-Hydroxy-2-isopropyl-5-methylcyclohexanone
CID 537586
1-Hydroxy-(1,1'-bi(cyclohexane))-4-one
CID 65918142

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxynonan-5-yl)cyclohexan-1-one?
The IUPAC name of 2-(5-hydroxynonan-5-yl)cyclohexan-1-one (CID 12938170) is 2-(5-hydroxynonan-5-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(5-hydroxynonan-5-yl)cyclohexan-1-one?
The canonical SMILES for 2-(5-hydroxynonan-5-yl)cyclohexan-1-one is CCCCC(O)(CCCC)C1CCCCC1=O.
What is the InChIKey of 2-(5-hydroxynonan-5-yl)cyclohexan-1-one?
The InChIKey is BSNXEYDJYCDBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-5-11-15(17,12-6-4-2)13-9-7-8-10-14(13)16/h13,17H,3-12H2,1-2H3.
What are the key properties of 2-(5-hydroxynonan-5-yl)cyclohexan-1-one?
2-(5-hydroxynonan-5-yl)cyclohexan-1-one has a molecular weight of 240.39 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxynonan-5-yl)cyclohexan-1-one is sourced from PubChem (CID 12938170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).