hex-1-ene-1,2,3-triol

C6H12O3 — CID 154069724

IUPAChex-1-ene-1,2,3-triol
SMILESCCCC(O)C(O)=CO
InChIInChI=1S/C6H12O3/c1-2-3-5(8)6(9)4-7/h4-5,7-9H,2-3H2,1H3
InChIKeyATABVZAIKMNXRH-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.10
Rot. Bonds3

About hex-1-ene-1,2,3-triol

hex-1-ene-1,2,3-triol (PubChem CID 154069724) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is hex-1-ene-1,2,3-triol.

Molecular Properties

Compound Namehex-1-ene-1,2,3-triol
PubChem CID154069724
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namehex-1-ene-1,2,3-triol
SMILESCCCC(O)C(O)=CO
InChIInChI=1S/C6H12O3/c1-2-3-5(8)6(9)4-7/h4-5,7-9H,2-3H2,1H3
InChIKeyATABVZAIKMNXRH-UHFFFAOYSA-N
XLogP1.10
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hex-1-ene-1,2,3-triol?
The IUPAC name of hex-1-ene-1,2,3-triol (CID 154069724) is hex-1-ene-1,2,3-triol.
What is the SMILES notation for hex-1-ene-1,2,3-triol?
The canonical SMILES for hex-1-ene-1,2,3-triol is CCCC(O)C(O)=CO.
What is the InChIKey of hex-1-ene-1,2,3-triol?
The InChIKey is ATABVZAIKMNXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-2-3-5(8)6(9)4-7/h4-5,7-9H,2-3H2,1H3.
What are the key properties of hex-1-ene-1,2,3-triol?
hex-1-ene-1,2,3-triol has a molecular weight of 132.16 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-ene-1,2,3-triol is sourced from PubChem (CID 154069724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).