(Z)-2-hydroxydodec-4-enoic acid

C12H22O3 — CID 134931228

IUPAC(Z)-2-hydroxydodec-4-enoic acid
SMILESCCCCCCC/C=C\CC(O)C(=O)O
InChIInChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h8-9,11,13H,2-7,10H2,1H3,(H,14,15)/b9-8-
InChIKeyPVCGCEPRQYPXCX-HJWRWDBZSA-N
MW214.31 g/mol
LogP2.74
Rot. Bonds9

About (Z)-2-hydroxydodec-4-enoic acid

(Z)-2-hydroxydodec-4-enoic acid (PubChem CID 134931228) has the molecular formula C12H22O3 and a molecular weight of 214.31 g/mol. Its IUPAC name is (Z)-2-hydroxydodec-4-enoic acid.

Molecular Properties

Compound Name(Z)-2-hydroxydodec-4-enoic acid
PubChem CID134931228
Molecular FormulaC12H22O3
Molecular Weight214.31 g/mol
Exact Mass214.16
IUPAC Name(Z)-2-hydroxydodec-4-enoic acid
SMILESCCCCCCC/C=C\CC(O)C(=O)O
InChIInChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h8-9,11,13H,2-7,10H2,1H3,(H,14,15)/b9-8-
InChIKeyPVCGCEPRQYPXCX-HJWRWDBZSA-N
XLogP2.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.74
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

2-[(E)-nonadec-2-enyl]propanedioic acid
CID 156873698
2-[(E)-dec-2-enyl]propanedioic acid
CID 156873573
(Z)-2-hydroxyheptadec-8-enoic acid
CID 139771523
(Z,2R)-2-hydroxytricos-14-enoic acid
CID 162876154
(E)-2-hydroxyicos-11-enoic acid
CID 87314905
(E)-2-hydroxydocos-13-enoic acid
CID 18923931
2-hydroxydocos-5-enoic acid
CID 139910462
2-[(Z)-oct-2-enyl]propanedioic acid
CID 156873558
2-hydroxydocosa-9,13-dienoic acid
CID 139771533
11-ethoxy-2-hydroxyundec-4-enoic acid
CID 57018637
carbonic acid;(Z)-octadec-9-ene
CID 87599003
3-hydroxytetradec-5-enoic acid
CID 73443469

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxydodec-4-enoic acid?
The IUPAC name of (Z)-2-hydroxydodec-4-enoic acid (CID 134931228) is (Z)-2-hydroxydodec-4-enoic acid.
What is the SMILES notation for (Z)-2-hydroxydodec-4-enoic acid?
The canonical SMILES for (Z)-2-hydroxydodec-4-enoic acid is CCCCCCC/C=C\CC(O)C(=O)O.
What is the InChIKey of (Z)-2-hydroxydodec-4-enoic acid?
The InChIKey is PVCGCEPRQYPXCX-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h8-9,11,13H,2-7,10H2,1H3,(H,14,15)/b9-8-.
What are the key properties of (Z)-2-hydroxydodec-4-enoic acid?
(Z)-2-hydroxydodec-4-enoic acid has a molecular weight of 214.31 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxydodec-4-enoic acid is sourced from PubChem (CID 134931228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).