2,3-dihydroxy-4-methylundec-10-enoic acid

C12H22O4 — CID 89088955

IUPAC2,3-dihydroxy-4-methylundec-10-enoic acid
SMILESC=CCCCCCC(C)C(O)C(O)C(=O)O
InChIInChI=1S/C12H22O4/c1-3-4-5-6-7-8-9(2)10(13)11(14)12(15)16/h3,9-11,13-14H,1,4-8H2,2H3,(H,15,16)
InChIKeyGTSVTKMTIYPFMY-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.57
Rot. Bonds9

About 2,3-dihydroxy-4-methylundec-10-enoic acid

2,3-dihydroxy-4-methylundec-10-enoic acid (PubChem CID 89088955) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2,3-dihydroxy-4-methylundec-10-enoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-4-methylundec-10-enoic acid
PubChem CID89088955
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2,3-dihydroxy-4-methylundec-10-enoic acid
SMILESC=CCCCCCC(C)C(O)C(O)C(=O)O
InChIInChI=1S/C12H22O4/c1-3-4-5-6-7-8-9(2)10(13)11(14)12(15)16/h3,9-11,13-14H,1,4-8H2,2H3,(H,15,16)
InChIKeyGTSVTKMTIYPFMY-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-methylundec-10-enoic acid?
The IUPAC name of 2,3-dihydroxy-4-methylundec-10-enoic acid (CID 89088955) is 2,3-dihydroxy-4-methylundec-10-enoic acid.
What is the SMILES notation for 2,3-dihydroxy-4-methylundec-10-enoic acid?
The canonical SMILES for 2,3-dihydroxy-4-methylundec-10-enoic acid is C=CCCCCCC(C)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-4-methylundec-10-enoic acid?
The InChIKey is GTSVTKMTIYPFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-3-4-5-6-7-8-9(2)10(13)11(14)12(15)16/h3,9-11,13-14H,1,4-8H2,2H3,(H,15,16).
What are the key properties of 2,3-dihydroxy-4-methylundec-10-enoic acid?
2,3-dihydroxy-4-methylundec-10-enoic acid has a molecular weight of 230.30 g/mol, XLogP of 1.57, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-methylundec-10-enoic acid is sourced from PubChem (CID 89088955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).