11-hydroxynonadecan-9-one

C19H38O2 — CID 100944351

IUPAC11-hydroxynonadecan-9-one
SMILESCCCCCCCCC(=O)CC(O)CCCCCCCC
InChIInChI=1S/C19H38O2/c1-3-5-7-9-11-13-15-18(20)17-19(21)16-14-12-10-8-6-4-2/h18,20H,3-17H2,1-2H3
InChIKeyBZNQOYNKHWHVGQ-UHFFFAOYSA-N
MW298.51 g/mol
LogP5.81
Rot. Bonds16

About 11-hydroxynonadecan-9-one

11-hydroxynonadecan-9-one (PubChem CID 100944351) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 11-hydroxynonadecan-9-one.

Molecular Properties

Compound Name11-hydroxynonadecan-9-one
PubChem CID100944351
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name11-hydroxynonadecan-9-one
SMILESCCCCCCCCC(=O)CC(O)CCCCCCCC
InChIInChI=1S/C19H38O2/c1-3-5-7-9-11-13-15-18(20)17-19(21)16-14-12-10-8-6-4-2/h18,20H,3-17H2,1-2H3
InChIKeyBZNQOYNKHWHVGQ-UHFFFAOYSA-N
XLogP5.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,13,24,31-tetrahydroxyhexatriacontane-8,15,22,29-tetrone
CID 163056640
6-hydroxypentacosan-8-one
CID 131751819
4-hydroxytricosan-6-one
CID 131751829
methyl 10-hydroxy-12-oxooctadecanoate
CID 101174504
(22S)-22-hydroxytetratriacontan-13-one
CID 162898768
25-hydroxyhexatetracontan-21-one
CID 163029416
(10S)-10-hydroxyhentriacontan-4-one
CID 162996297
(3R)-3-hydroxytriacontan-11-one
CID 163074404
(5S)-5-hydroxydecan-3-one
CID 102362310
(5R)-5-hydroxyhentriacontane-14,16-dione
CID 162890946
1,2-dihydroxyhexacosan-4-one;hydrate
CID 141328016
10-hydroxynonadecan-2-one
CID 15922920

Frequently Asked Questions

What is the IUPAC name of 11-hydroxynonadecan-9-one?
The IUPAC name of 11-hydroxynonadecan-9-one (CID 100944351) is 11-hydroxynonadecan-9-one.
What is the SMILES notation for 11-hydroxynonadecan-9-one?
The canonical SMILES for 11-hydroxynonadecan-9-one is CCCCCCCCC(=O)CC(O)CCCCCCCC.
What is the InChIKey of 11-hydroxynonadecan-9-one?
The InChIKey is BZNQOYNKHWHVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-3-5-7-9-11-13-15-18(20)17-19(21)16-14-12-10-8-6-4-2/h18,20H,3-17H2,1-2H3.
What are the key properties of 11-hydroxynonadecan-9-one?
11-hydroxynonadecan-9-one has a molecular weight of 298.51 g/mol, XLogP of 5.81, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxynonadecan-9-one is sourced from PubChem (CID 100944351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).