(Z)-hex-3-enal

C12H20O2 — CID 162039404

IUPAC(Z)-hex-3-enal
SMILESCC/C=C\CC=O.CC/C=C\CC=O
InChIInChI=1S/2C6H10O/c2*1-2-3-4-5-6-7/h2*3-4,6H,2,5H2,1H3/b2*4-3-
InChIKeyYXBOGVKBFRVVBM-CHNJZELVSA-N
MW196.29 g/mol
LogP3.08
Rot. Bonds6

About (Z)-hex-3-enal

(Z)-hex-3-enal (PubChem CID 162039404) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (Z)-hex-3-enal.

Molecular Properties

Compound Name(Z)-hex-3-enal
PubChem CID162039404
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(Z)-hex-3-enal
SMILESCC/C=C\CC=O.CC/C=C\CC=O
InChIInChI=1S/2C6H10O/c2*1-2-3-4-5-6-7/h2*3-4,6H,2,5H2,1H3/b2*4-3-
InChIKeyYXBOGVKBFRVVBM-CHNJZELVSA-N
XLogP3.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

henicosa-3,6,9,12,15,18-hexaenal
CID 123986237
(3Z,6Z)-nona-3,6-dienal
CID 5352808
(Z)-6,6,6-trideuteriohex-3-enal
CID 10441654
pentadeca-3,6,9,12-tetraene
CID 123748490
docosa-4,8,12,15,19-pentaenal
CID 54481142
(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenal
CID 10987375
(2E)-octa-2,5-dienal
CID 152586701
(2E,7Z)-deca-2,4,7-trienal
CID 86595204
(2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal
CID 87856507
(2Z,4Z,7Z)-deca-2,4,7-trienal
CID 146449298
(2E,4E,7E)-deca-2,4,7-trienal
CID 5283352
hex-3-ene;hydrochloride
CID 159012047

Frequently Asked Questions

What is the IUPAC name of (Z)-hex-3-enal?
The IUPAC name of (Z)-hex-3-enal (CID 162039404) is (Z)-hex-3-enal.
What is the SMILES notation for (Z)-hex-3-enal?
The canonical SMILES for (Z)-hex-3-enal is CC/C=C\CC=O.CC/C=C\CC=O.
What is the InChIKey of (Z)-hex-3-enal?
The InChIKey is YXBOGVKBFRVVBM-CHNJZELVSA-N. The full InChI is InChI=1S/2C6H10O/c2*1-2-3-4-5-6-7/h2*3-4,6H,2,5H2,1H3/b2*4-3-.
What are the key properties of (Z)-hex-3-enal?
(Z)-hex-3-enal has a molecular weight of 196.29 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hex-3-enal is sourced from PubChem (CID 162039404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).