(Z)-3-hydroxydec-2-enedioic acid

C10H16O5 — CID 121232666

IUPAC(Z)-3-hydroxydec-2-enedioic acid
SMILESO=C(O)/C=C(\O)CCCCCCC(=O)O
InChIInChI=1S/C10H16O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h7,11H,1-6H2,(H,12,13)(H,14,15)/b8-7-
InChIKeyZFONAUHRORWDHV-FPLPWBNLSA-N
MW216.23 g/mol
LogP1.94
Rot. Bonds8

About (Z)-3-hydroxydec-2-enedioic acid

(Z)-3-hydroxydec-2-enedioic acid (PubChem CID 121232666) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (Z)-3-hydroxydec-2-enedioic acid.

Molecular Properties

Compound Name(Z)-3-hydroxydec-2-enedioic acid
PubChem CID121232666
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(Z)-3-hydroxydec-2-enedioic acid
SMILESO=C(O)/C=C(\O)CCCCCCC(=O)O
InChIInChI=1S/C10H16O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h7,11H,1-6H2,(H,12,13)(H,14,15)/b8-7-
InChIKeyZFONAUHRORWDHV-FPLPWBNLSA-N
XLogP1.94
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxydec-2-enedioic acid?
The IUPAC name of (Z)-3-hydroxydec-2-enedioic acid (CID 121232666) is (Z)-3-hydroxydec-2-enedioic acid.
What is the SMILES notation for (Z)-3-hydroxydec-2-enedioic acid?
The canonical SMILES for (Z)-3-hydroxydec-2-enedioic acid is O=C(O)/C=C(\O)CCCCCCC(=O)O.
What is the InChIKey of (Z)-3-hydroxydec-2-enedioic acid?
The InChIKey is ZFONAUHRORWDHV-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H16O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h7,11H,1-6H2,(H,12,13)(H,14,15)/b8-7-.
What are the key properties of (Z)-3-hydroxydec-2-enedioic acid?
(Z)-3-hydroxydec-2-enedioic acid has a molecular weight of 216.23 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxydec-2-enedioic acid is sourced from PubChem (CID 121232666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).