deca-4,7-dienal

C10H16O — CID 54099340

IUPACdeca-4,7-dienal
SMILESCCC=CCC=CCCC=O
InChIInChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-7,10H,2,5,8-9H2,1H3
InChIKeyMZLGFRRNMCCNBB-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.88
Rot. Bonds6

About deca-4,7-dienal

deca-4,7-dienal (PubChem CID 54099340) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is deca-4,7-dienal.

Molecular Properties

Compound Namedeca-4,7-dienal
PubChem CID54099340
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Namedeca-4,7-dienal
SMILESCCC=CCC=CCCC=O
InChIInChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-7,10H,2,5,8-9H2,1H3
InChIKeyMZLGFRRNMCCNBB-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Decenal, (4Z)-
CID 5362620
4-Decenal
CID 61875
(Z)-3-Hexenal
CID 643941
cis-6-Nonenal
CID 5362720
4-Heptenal, (4Z)-
CID 5362814
trans-4-Hexenal
CID 5283308
3-Hexenal
CID 643139
(3Z,6Z)-Nona-3,6-dienal
CID 5352808
7-Tetradecenal, (7Z)-
CID 5364468
(E)-4-Undecenal
CID 5283357
Tangerinal
CID 6430180
5-Decenal, (5Z)-
CID 13940628

Frequently Asked Questions

What is the IUPAC name of deca-4,7-dienal?
The IUPAC name of deca-4,7-dienal (CID 54099340) is deca-4,7-dienal.
What is the SMILES notation for deca-4,7-dienal?
The canonical SMILES for deca-4,7-dienal is CCC=CCC=CCCC=O.
What is the InChIKey of deca-4,7-dienal?
The InChIKey is MZLGFRRNMCCNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-7,10H,2,5,8-9H2,1H3.
What are the key properties of deca-4,7-dienal?
deca-4,7-dienal has a molecular weight of 152.24 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deca-4,7-dienal is sourced from PubChem (CID 54099340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).