13-hydroxyhexadec-15-en-2-one

C16H30O2 — CID 10999621

IUPAC13-hydroxyhexadec-15-en-2-one
SMILESC=CCC(O)CCCCCCCCCCC(C)=O
InChIInChI=1S/C16H30O2/c1-3-12-16(18)14-11-9-7-5-4-6-8-10-13-15(2)17/h3,16,18H,1,4-14H2,2H3
InChIKeyIIINJVDFXADMMK-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.41
Rot. Bonds13

About 13-hydroxyhexadec-15-en-2-one

13-hydroxyhexadec-15-en-2-one (PubChem CID 10999621) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 13-hydroxyhexadec-15-en-2-one.

Molecular Properties

Compound Name13-hydroxyhexadec-15-en-2-one
PubChem CID10999621
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name13-hydroxyhexadec-15-en-2-one
SMILESC=CCC(O)CCCCCCCCCCC(C)=O
InChIInChI=1S/C16H30O2/c1-3-12-16(18)14-11-9-7-5-4-6-8-10-13-15(2)17/h3,16,18H,1,4-14H2,2H3
InChIKeyIIINJVDFXADMMK-UHFFFAOYSA-N
XLogP4.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ricinoleic Acid
CID 643684
(9Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
Ricinelaidic acid
CID 445641
Avenoleic acid
CID 45934094
(9E)-12-hydroxyoctadec-9-enoic acid
CID 5282943
12-Hydroxyoctadec-9-enoic acid
CID 8839
(9Z,12Z)-15-Hydroxy-9,12-octadecadienoic acid
CID 75536015
12S-Home(9Z)
CID 5312853
Ricinoleate
CID 25630959
(9Z)-12-hydroxyoctadec-9-enoate
CID 46173162
9-Octadecenoic acid, 12-hydroxy-, calcium salt (1:?), (9Z,12R)-
CID 5312852
(Z)-1-hydroxyhexadec-10-en-7-one
CID 13964640

Frequently Asked Questions

What is the IUPAC name of 13-hydroxyhexadec-15-en-2-one?
The IUPAC name of 13-hydroxyhexadec-15-en-2-one (CID 10999621) is 13-hydroxyhexadec-15-en-2-one.
What is the SMILES notation for 13-hydroxyhexadec-15-en-2-one?
The canonical SMILES for 13-hydroxyhexadec-15-en-2-one is C=CCC(O)CCCCCCCCCCC(C)=O.
What is the InChIKey of 13-hydroxyhexadec-15-en-2-one?
The InChIKey is IIINJVDFXADMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-12-16(18)14-11-9-7-5-4-6-8-10-13-15(2)17/h3,16,18H,1,4-14H2,2H3.
What are the key properties of 13-hydroxyhexadec-15-en-2-one?
13-hydroxyhexadec-15-en-2-one has a molecular weight of 254.41 g/mol, XLogP of 4.41, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-hydroxyhexadec-15-en-2-one is sourced from PubChem (CID 10999621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).