4,14-dihydroxy-2-methyltetradec-2-enoic acid

C15H28O4 — CID 155224874

IUPAC4,14-dihydroxy-2-methyltetradec-2-enoic acid
SMILESCC(=CC(O)CCCCCCCCCCO)C(=O)O
InChIInChI=1S/C15H28O4/c1-13(15(18)19)12-14(17)10-8-6-4-2-3-5-7-9-11-16/h12,14,16-17H,2-11H2,1H3,(H,18,19)
InChIKeyGDYGCRYDWAMPSO-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.88
Rot. Bonds12

About 4,14-dihydroxy-2-methyltetradec-2-enoic acid

4,14-dihydroxy-2-methyltetradec-2-enoic acid (PubChem CID 155224874) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 4,14-dihydroxy-2-methyltetradec-2-enoic acid.

Molecular Properties

Compound Name4,14-dihydroxy-2-methyltetradec-2-enoic acid
PubChem CID155224874
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name4,14-dihydroxy-2-methyltetradec-2-enoic acid
SMILESCC(=CC(O)CCCCCCCCCCO)C(=O)O
InChIInChI=1S/C15H28O4/c1-13(15(18)19)12-14(17)10-8-6-4-2-3-5-7-9-11-16/h12,14,16-17H,2-11H2,1H3,(H,18,19)
InChIKeyGDYGCRYDWAMPSO-UHFFFAOYSA-N
XLogP2.88
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.88
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

4,17-dihydroxy-2-methylheptadec-2-enoic acid
CID 57306862
4,12-dihydroxy-2-methyldodec-2-enoic acid
CID 90823727
(E)-4,6-dihydroxy-2-methylhex-2-enoic acid
CID 57430856
4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid
CID 173155941
2-methylprop-2-enoyl 4,10-dihydroxy-2-methyldec-2-enoate
CID 174767128
2-methylbut-2-enoic acid;pentane-1,5-diol
CID 174259555
4-hydroxy-2-methylhex-2-enedioic acid
CID 154259109
(E)-7,10,18-trihydroxyoctadec-8-enoic acid
CID 146242215
(9R,10R)-9,10,16-trihydroxyhexadecanoic acid
CID 7060884
(9S,10S)-9,10,16-trihydroxyhexadecanoic acid
CID 7269318
4,13-dihydroxy-2,3-dimethyltridec-2-enoic acid
CID 57180558
prop-2-enoyl 4,7-dihydroxy-2-methylhept-2-enoate
CID 174774557

Frequently Asked Questions

What is the IUPAC name of 4,14-dihydroxy-2-methyltetradec-2-enoic acid?
The IUPAC name of 4,14-dihydroxy-2-methyltetradec-2-enoic acid (CID 155224874) is 4,14-dihydroxy-2-methyltetradec-2-enoic acid.
What is the SMILES notation for 4,14-dihydroxy-2-methyltetradec-2-enoic acid?
The canonical SMILES for 4,14-dihydroxy-2-methyltetradec-2-enoic acid is CC(=CC(O)CCCCCCCCCCO)C(=O)O.
What is the InChIKey of 4,14-dihydroxy-2-methyltetradec-2-enoic acid?
The InChIKey is GDYGCRYDWAMPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-13(15(18)19)12-14(17)10-8-6-4-2-3-5-7-9-11-16/h12,14,16-17H,2-11H2,1H3,(H,18,19).
What are the key properties of 4,14-dihydroxy-2-methyltetradec-2-enoic acid?
4,14-dihydroxy-2-methyltetradec-2-enoic acid has a molecular weight of 272.38 g/mol, XLogP of 2.88, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,14-dihydroxy-2-methyltetradec-2-enoic acid is sourced from PubChem (CID 155224874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).