(E,12R)-12-hydroxyheptadec-10-enoic acid

C17H32O3 — CID 129382398

IUPAC(E,12R)-12-hydroxyheptadec-10-enoic acid
SMILESCCCCC[C@@H](O)/C=C/CCCCCCCCC(=O)O
InChIInChI=1S/C17H32O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h11,14,16,18H,2-10,12-13,15H2,1H3,(H,19,20)/b14-11+/t16-/m1/s1
InChIKeyFWBDKWLOURZXGP-WSYSLRRZSA-N
MW284.44 g/mol
LogP4.69
Rot. Bonds14

About (E,12R)-12-hydroxyheptadec-10-enoic acid

(E,12R)-12-hydroxyheptadec-10-enoic acid (PubChem CID 129382398) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is (E,12R)-12-hydroxyheptadec-10-enoic acid.

Molecular Properties

Compound Name(E,12R)-12-hydroxyheptadec-10-enoic acid
PubChem CID129382398
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name(E,12R)-12-hydroxyheptadec-10-enoic acid
SMILESCCCCC[C@@H](O)/C=C/CCCCCCCCC(=O)O
InChIInChI=1S/C17H32O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h11,14,16,18H,2-10,12-13,15H2,1H3,(H,19,20)/b14-11+/t16-/m1/s1
InChIKeyFWBDKWLOURZXGP-WSYSLRRZSA-N
XLogP4.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.69
H-Bond Donors ≤ 52
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

(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869
(Z,16R)-16-hydroxyhenicos-14-enoic acid
CID 11439238
(4E,12E)-14-hydroxyicosa-4,12-dienoic acid
CID 102068269
(9R,10E)-9-hydroxyoctadeca-10,12-dienoic acid
CID 170924408
(15S)-15-hydroxyicosa-11,13-dienoic acid
CID 6610219
(10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid
CID 125480190
(Z)-7,10-dihydroxyoctadec-8-enoic acid
CID 56776194
(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10020286
(E,8R,11S)-8,11-dihydroxyoctadec-9-enoic acid
CID 10448375
(E,10S,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10315363
henicos-7-en-6-ol
CID 91409967
(6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid
CID 124636388

Frequently Asked Questions

What is the IUPAC name of (E,12R)-12-hydroxyheptadec-10-enoic acid?
The IUPAC name of (E,12R)-12-hydroxyheptadec-10-enoic acid (CID 129382398) is (E,12R)-12-hydroxyheptadec-10-enoic acid.
What is the SMILES notation for (E,12R)-12-hydroxyheptadec-10-enoic acid?
The canonical SMILES for (E,12R)-12-hydroxyheptadec-10-enoic acid is CCCCC[C@@H](O)/C=C/CCCCCCCCC(=O)O.
What is the InChIKey of (E,12R)-12-hydroxyheptadec-10-enoic acid?
The InChIKey is FWBDKWLOURZXGP-WSYSLRRZSA-N. The full InChI is InChI=1S/C17H32O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h11,14,16,18H,2-10,12-13,15H2,1H3,(H,19,20)/b14-11+/t16-/m1/s1.
What are the key properties of (E,12R)-12-hydroxyheptadec-10-enoic acid?
(E,12R)-12-hydroxyheptadec-10-enoic acid has a molecular weight of 284.44 g/mol, XLogP of 4.69, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,12R)-12-hydroxyheptadec-10-enoic acid is sourced from PubChem (CID 129382398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).