hex-2-enal

C6H10O — CID 10460

IUPAChex-2-enal
SMILESCCCC=CC=O
InChIInChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3
InChIKeyMBDOYVRWFFCFHM-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.54
Rot. Bonds3

About hex-2-enal

hex-2-enal (PubChem CID 10460) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is hex-2-enal.

Molecular Properties

Compound Namehex-2-enal
PubChem CID10460
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Namehex-2-enal
SMILESCCCC=CC=O
InChIInChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3
InChIKeyMBDOYVRWFFCFHM-UHFFFAOYSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

trans-2-Hexenal
CID 5281168
2-Heptenal
CID 5283316
2-Nonenal
CID 5283335
(E)-2-Octenal
CID 5283324
(Z)-non-2-enal
CID 5354833
(E)-2-Pentenal
CID 5364752
(2Z,4E)-Nona-2,4-Dienal
CID 6428555
Oct-2-enal
CID 16900
trans-2,cis-6-Nonadienal
CID 643731
(Z)-2-Octenal
CID 6427080
Non-2-enal
CID 17166
(Z)-3-Hexenal
CID 643941

Frequently Asked Questions

What is the IUPAC name of hex-2-enal?
The IUPAC name of hex-2-enal (CID 10460) is hex-2-enal.
What is the SMILES notation for hex-2-enal?
The canonical SMILES for hex-2-enal is CCCC=CC=O.
What is the InChIKey of hex-2-enal?
The InChIKey is MBDOYVRWFFCFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3.
What are the key properties of hex-2-enal?
hex-2-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 hex-2-enal is sourced from PubChem (CID 10460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).