(E)-hex-3-enal

C6H10O — CID 643139

IUPAC(E)-hex-3-enal
SMILESCC/C=C/CC=O
InChIInChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3+
InChIKeyGXANMBISFKBPEX-ONEGZZNKSA-N
MW98.14 g/mol
LogP1.54
Rot. Bonds3

About (E)-hex-3-enal

(E)-hex-3-enal (PubChem CID 643139) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is (E)-hex-3-enal.

Molecular Properties

Compound Name(E)-hex-3-enal
PubChem CID643139
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name(E)-hex-3-enal
SMILESCC/C=C/CC=O
InChIInChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3+
InChIKeyGXANMBISFKBPEX-ONEGZZNKSA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-hex-3-enal?
The IUPAC name of (E)-hex-3-enal (CID 643139) is (E)-hex-3-enal.
What is the SMILES notation for (E)-hex-3-enal?
The canonical SMILES for (E)-hex-3-enal is CC/C=C/CC=O.
What is the InChIKey of (E)-hex-3-enal?
The InChIKey is GXANMBISFKBPEX-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3+.
What are the key properties of (E)-hex-3-enal?
(E)-hex-3-enal has a molecular weight of 98.14 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-3-enal is sourced from PubChem (CID 643139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).