2-(3-hydroxypropyl)cyclododecan-1-one

C15H28O2 — CID 10130987

IUPAC2-(3-hydroxypropyl)cyclododecan-1-one
SMILESO=C1CCCCCCCCCCC1CCCO
InChIInChI=1S/C15H28O2/c16-13-9-11-14-10-7-5-3-1-2-4-6-8-12-15(14)17/h14,16H,1-13H2
InChIKeyWPUUQDHXECKYPM-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.86
Rot. Bonds3

About 2-(3-hydroxypropyl)cyclododecan-1-one

2-(3-hydroxypropyl)cyclododecan-1-one (PubChem CID 10130987) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)cyclododecan-1-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)cyclododecan-1-one
PubChem CID10130987
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-(3-hydroxypropyl)cyclododecan-1-one
SMILESO=C1CCCCCCCCCCC1CCCO
InChIInChI=1S/C15H28O2/c16-13-9-11-14-10-7-5-3-1-2-4-6-8-12-15(14)17/h14,16H,1-13H2
InChIKeyWPUUQDHXECKYPM-UHFFFAOYSA-N
XLogP3.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

3-(Hydroxymethyl)-2-octanone
CID 62148
Serricornin
CID 194454
2-Nonanone, 3-(hydroxymethyl)-
CID 106823
6-Dodecanone, 5,8-diethyl-7-hydroxy-
CID 169366
Cyclopentanone, 2-(1-hydroxyheptyl)-
CID 11008912
6-Hydroxy-3,7-dimethyloctanoic acid
CID 23422948
2-(3-Hydroxypropyl)cyclohexan-1-one
CID 12244234
3-Hydroxy-2-methyltridecan-4-one
CID 57398496
8-Acetyl-12-hydroxydodecanoic acid
CID 71400118
6-Undecanone, 1,11-dihydroxy-2,2,10,10-tetramethyl-
CID 9899878
9-Hydroxy-3-(6-hydroxy-5,5-dimethylhexyl)-8,8-dimethylnonan-2-one
CID 11638232
29-Hydroxy-3,11-dimethyl-2-nonacosanone
CID 205990

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)cyclododecan-1-one?
The IUPAC name of 2-(3-hydroxypropyl)cyclododecan-1-one (CID 10130987) is 2-(3-hydroxypropyl)cyclododecan-1-one.
What is the SMILES notation for 2-(3-hydroxypropyl)cyclododecan-1-one?
The canonical SMILES for 2-(3-hydroxypropyl)cyclododecan-1-one is O=C1CCCCCCCCCCC1CCCO.
What is the InChIKey of 2-(3-hydroxypropyl)cyclododecan-1-one?
The InChIKey is WPUUQDHXECKYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c16-13-9-11-14-10-7-5-3-1-2-4-6-8-12-15(14)17/h14,16H,1-13H2.
What are the key properties of 2-(3-hydroxypropyl)cyclododecan-1-one?
2-(3-hydroxypropyl)cyclododecan-1-one has a molecular weight of 240.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)cyclododecan-1-one is sourced from PubChem (CID 10130987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).