[(Z)-hex-3-enyl] 3-hydroxybutanoate

C10H18O3 — CID 91748130

IUPAC[(Z)-hex-3-enyl] 3-hydroxybutanoate
SMILESCC/C=C\CCOC(=O)CC(C)O
InChIInChI=1S/C10H18O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5,9,11H,3,6-8H2,1-2H3/b5-4-
InChIKeyYCRZFZCDOSZRKH-PLNGDYQASA-N
MW186.25 g/mol
LogP1.66
Rot. Bonds6

About [(Z)-hex-3-enyl] 3-hydroxybutanoate

[(Z)-hex-3-enyl] 3-hydroxybutanoate (PubChem CID 91748130) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] 3-hydroxybutanoate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] 3-hydroxybutanoate
PubChem CID91748130
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name[(Z)-hex-3-enyl] 3-hydroxybutanoate
SMILESCC/C=C\CCOC(=O)CC(C)O
InChIInChI=1S/C10H18O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5,9,11H,3,6-8H2,1-2H3/b5-4-
InChIKeyYCRZFZCDOSZRKH-PLNGDYQASA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
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 [(Z)-hex-3-enyl] 3-hydroxybutanoate?
The IUPAC name of [(Z)-hex-3-enyl] 3-hydroxybutanoate (CID 91748130) is [(Z)-hex-3-enyl] 3-hydroxybutanoate.
What is the SMILES notation for [(Z)-hex-3-enyl] 3-hydroxybutanoate?
The canonical SMILES for [(Z)-hex-3-enyl] 3-hydroxybutanoate is CC/C=C\CCOC(=O)CC(C)O.
What is the InChIKey of [(Z)-hex-3-enyl] 3-hydroxybutanoate?
The InChIKey is YCRZFZCDOSZRKH-PLNGDYQASA-N. The full InChI is InChI=1S/C10H18O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5,9,11H,3,6-8H2,1-2H3/b5-4-.
What are the key properties of [(Z)-hex-3-enyl] 3-hydroxybutanoate?
[(Z)-hex-3-enyl] 3-hydroxybutanoate has a molecular weight of 186.25 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl] 3-hydroxybutanoate is sourced from PubChem (CID 91748130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).