11-hydroxypentadec-2-enoic acid

C15H28O3 — CID 162983544

IUPAC11-hydroxypentadec-2-enoic acid
SMILESCCCCC(O)CCCCCCCC=CC(=O)O
InChIInChI=1S/C15H28O3/c1-2-3-11-14(16)12-9-7-5-4-6-8-10-13-15(17)18/h10,13-14,16H,2-9,11-12H2,1H3,(H,17,18)
InChIKeyDBALKFBBBMINSS-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.91
Rot. Bonds12

About 11-hydroxypentadec-2-enoic acid

11-hydroxypentadec-2-enoic acid (PubChem CID 162983544) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 11-hydroxypentadec-2-enoic acid.

Molecular Properties

Compound Name11-hydroxypentadec-2-enoic acid
PubChem CID162983544
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name11-hydroxypentadec-2-enoic acid
SMILESCCCCC(O)CCCCCCCC=CC(=O)O
InChIInChI=1S/C15H28O3/c1-2-3-11-14(16)12-9-7-5-4-6-8-10-13-15(17)18/h10,13-14,16H,2-9,11-12H2,1H3,(H,17,18)
InChIKeyDBALKFBBBMINSS-UHFFFAOYSA-N
XLogP3.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

14-hydroxyicos-2-enoic acid
CID 54225996
7,10,13-trihydroxyoctadec-2-enoic acid
CID 146242236
7,10,14-trihydroxyoctadec-2-enoic acid
CID 146242425
(E)-9,12,13-trihydroxyoctadec-2-enoic acid
CID 87252445
12,13-dihydroxyoctadec-2-enoic acid
CID 71343147
(2E,4E,6E)-15-hydroxyicosa-2,4,6-trienoic acid
CID 6439617
undec-2-enoic acid
CID 519180
10-methylheptadec-2-enoic acid
CID 176885853
9,10-dihydroxydec-2-enoic acid
CID 74394352
11,12-dihydroxydodec-2-enoic acid
CID 154629729
9-methoxyhexadec-2-enoic acid
CID 163192644
5,8-dihydroxyoctadec-2-enoic acid
CID 162533273

Frequently Asked Questions

What is the IUPAC name of 11-hydroxypentadec-2-enoic acid?
The IUPAC name of 11-hydroxypentadec-2-enoic acid (CID 162983544) is 11-hydroxypentadec-2-enoic acid.
What is the SMILES notation for 11-hydroxypentadec-2-enoic acid?
The canonical SMILES for 11-hydroxypentadec-2-enoic acid is CCCCC(O)CCCCCCCC=CC(=O)O.
What is the InChIKey of 11-hydroxypentadec-2-enoic acid?
The InChIKey is DBALKFBBBMINSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-2-3-11-14(16)12-9-7-5-4-6-8-10-13-15(17)18/h10,13-14,16H,2-9,11-12H2,1H3,(H,17,18).
What are the key properties of 11-hydroxypentadec-2-enoic acid?
11-hydroxypentadec-2-enoic acid has a molecular weight of 256.39 g/mol, XLogP of 3.91, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxypentadec-2-enoic acid is sourced from PubChem (CID 162983544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).