(E)-5,9-dihydroxydodec-6-enoic acid

C12H22O4 — CID 139583704

IUPAC(E)-5,9-dihydroxydodec-6-enoic acid
SMILESCCCC(O)C/C=C/C(O)CCCC(=O)O
InChIInChI=1S/C12H22O4/c1-2-5-10(13)6-3-7-11(14)8-4-9-12(15)16/h3,7,10-11,13-14H,2,4-6,8-9H2,1H3,(H,15,16)/b7-3+
InChIKeyGQSGRFRXNNYHRR-XVNBXDOJSA-N
MW230.30 g/mol
LogP1.71
Rot. Bonds9

About (E)-5,9-dihydroxydodec-6-enoic acid

(E)-5,9-dihydroxydodec-6-enoic acid (PubChem CID 139583704) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is (E)-5,9-dihydroxydodec-6-enoic acid.

Molecular Properties

Compound Name(E)-5,9-dihydroxydodec-6-enoic acid
PubChem CID139583704
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(E)-5,9-dihydroxydodec-6-enoic acid
SMILESCCCC(O)C/C=C/C(O)CCCC(=O)O
InChIInChI=1S/C12H22O4/c1-2-5-10(13)6-3-7-11(14)8-4-9-12(15)16/h3,7,10-11,13-14H,2,4-6,8-9H2,1H3,(H,15,16)/b7-3+
InChIKeyGQSGRFRXNNYHRR-XVNBXDOJSA-N
XLogP1.71
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5,9-dihydroxydodec-6-enoic acid?
The IUPAC name of (E)-5,9-dihydroxydodec-6-enoic acid (CID 139583704) is (E)-5,9-dihydroxydodec-6-enoic acid.
What is the SMILES notation for (E)-5,9-dihydroxydodec-6-enoic acid?
The canonical SMILES for (E)-5,9-dihydroxydodec-6-enoic acid is CCCC(O)C/C=C/C(O)CCCC(=O)O.
What is the InChIKey of (E)-5,9-dihydroxydodec-6-enoic acid?
The InChIKey is GQSGRFRXNNYHRR-XVNBXDOJSA-N. The full InChI is InChI=1S/C12H22O4/c1-2-5-10(13)6-3-7-11(14)8-4-9-12(15)16/h3,7,10-11,13-14H,2,4-6,8-9H2,1H3,(H,15,16)/b7-3+.
What are the key properties of (E)-5,9-dihydroxydodec-6-enoic acid?
(E)-5,9-dihydroxydodec-6-enoic acid has a molecular weight of 230.30 g/mol, XLogP of 1.71, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,9-dihydroxydodec-6-enoic acid is sourced from PubChem (CID 139583704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).