(1E)-penta-1,3,4-trien-1-ol

C5H6O — CID 176539684

IUPAC(1E)-penta-1,3,4-trien-1-ol
SMILESC=C=C/C=C/O
InChIInChI=1S/C5H6O/c1-2-3-4-5-6/h3-6H,1H2/b5-4+
InChIKeyHLRCVGTYIWCDMQ-SNAWJCMRSA-N
MW82.10 g/mol
LogP1.40
Rot. Bonds1

About (1E)-penta-1,3,4-trien-1-ol

(1E)-penta-1,3,4-trien-1-ol (PubChem CID 176539684) has the molecular formula C5H6O and a molecular weight of 82.10 g/mol. Its IUPAC name is (1E)-penta-1,3,4-trien-1-ol.

Molecular Properties

Compound Name(1E)-penta-1,3,4-trien-1-ol
PubChem CID176539684
Molecular FormulaC5H6O
Molecular Weight82.10 g/mol
Exact Mass82.04
IUPAC Name(1E)-penta-1,3,4-trien-1-ol
SMILESC=C=C/C=C/O
InChIInChI=1S/C5H6O/c1-2-3-4-5-6/h3-6H,1H2/b5-4+
InChIKeyHLRCVGTYIWCDMQ-SNAWJCMRSA-N
XLogP1.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.10
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-penta-1,3,4-trien-1-ol?
The IUPAC name of (1E)-penta-1,3,4-trien-1-ol (CID 176539684) is (1E)-penta-1,3,4-trien-1-ol.
What is the SMILES notation for (1E)-penta-1,3,4-trien-1-ol?
The canonical SMILES for (1E)-penta-1,3,4-trien-1-ol is C=C=C/C=C/O.
What is the InChIKey of (1E)-penta-1,3,4-trien-1-ol?
The InChIKey is HLRCVGTYIWCDMQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H6O/c1-2-3-4-5-6/h3-6H,1H2/b5-4+.
What are the key properties of (1E)-penta-1,3,4-trien-1-ol?
(1E)-penta-1,3,4-trien-1-ol has a molecular weight of 82.10 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-penta-1,3,4-trien-1-ol is sourced from PubChem (CID 176539684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).