11,12-dihydroxydodec-2-enoic acid

C12H22O4 — CID 154629729

IUPAC11,12-dihydroxydodec-2-enoic acid
SMILESO=C(O)C=CCCCCCCCC(O)CO
InChIInChI=1S/C12H22O4/c13-10-11(14)8-6-4-2-1-3-5-7-9-12(15)16/h7,9,11,13-14H,1-6,8,10H2,(H,15,16)
InChIKeyMYSHMRVDDPLJJA-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.71
Rot. Bonds10

About 11,12-dihydroxydodec-2-enoic acid

11,12-dihydroxydodec-2-enoic acid (PubChem CID 154629729) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 11,12-dihydroxydodec-2-enoic acid.

Molecular Properties

Compound Name11,12-dihydroxydodec-2-enoic acid
PubChem CID154629729
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name11,12-dihydroxydodec-2-enoic acid
SMILESO=C(O)C=CCCCCCCCC(O)CO
InChIInChI=1S/C12H22O4/c13-10-11(14)8-6-4-2-1-3-5-7-9-12(15)16/h7,9,11,13-14H,1-6,8,10H2,(H,15,16)
InChIKeyMYSHMRVDDPLJJA-UHFFFAOYSA-N
XLogP1.71
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

9,10-dihydroxydec-2-enoic acid
CID 74394352
11-hydroxypentadec-2-enoic acid
CID 162983544
14-hydroxyicos-2-enoic acid
CID 54225996
methyl (E)-9,10-dihydroxydec-2-enoate
CID 59411834
(E,10R)-10-hydroxyundec-2-enoic acid
CID 139031700
20,21-dihydroxyhenicosa-9,12-dienoic acid
CID 158956400
(E)-9,12,13-trihydroxyoctadec-2-enoic acid
CID 87252445
(E)-10-hydroxydec-2-enoic acid
CID 5312738
7,10,13-trihydroxyoctadec-2-enoic acid
CID 146242236
12,13-dihydroxyoctadec-2-enoic acid
CID 71343147
acetic acid;(Z)-heptadec-2-enoic acid;hexadecanoic acid;propane-1,2,3-triol
CID 170849508
14-methyl-15-oxopentadec-2-enoic acid
CID 163045646

Frequently Asked Questions

What is the IUPAC name of 11,12-dihydroxydodec-2-enoic acid?
The IUPAC name of 11,12-dihydroxydodec-2-enoic acid (CID 154629729) is 11,12-dihydroxydodec-2-enoic acid.
What is the SMILES notation for 11,12-dihydroxydodec-2-enoic acid?
The canonical SMILES for 11,12-dihydroxydodec-2-enoic acid is O=C(O)C=CCCCCCCCC(O)CO.
What is the InChIKey of 11,12-dihydroxydodec-2-enoic acid?
The InChIKey is MYSHMRVDDPLJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c13-10-11(14)8-6-4-2-1-3-5-7-9-12(15)16/h7,9,11,13-14H,1-6,8,10H2,(H,15,16).
What are the key properties of 11,12-dihydroxydodec-2-enoic acid?
11,12-dihydroxydodec-2-enoic acid has a molecular weight of 230.30 g/mol, XLogP of 1.71, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dihydroxydodec-2-enoic acid is sourced from PubChem (CID 154629729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).