(2E,4E,7E)-deca-2,4,7-trienal

C10H14O — CID 5283352

IUPAC(2E,4E,7E)-deca-2,4,7-trienal
SMILESCC/C=C/C/C=C/C=C/C=O
InChIInChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-10H,2,5H2,1H3/b4-3+,7-6+,9-8+
InChIKeyKEXCNWISTVJVBV-SIRUGEDZSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds5

About (2E,4E,7E)-deca-2,4,7-trienal

(2E,4E,7E)-deca-2,4,7-trienal (PubChem CID 5283352) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (2E,4E,7E)-deca-2,4,7-trienal.

Molecular Properties

Compound Name(2E,4E,7E)-deca-2,4,7-trienal
PubChem CID5283352
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(2E,4E,7E)-deca-2,4,7-trienal
SMILESCC/C=C/C/C=C/C=C/C=O
InChIInChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-10H,2,5H2,1H3/b4-3+,7-6+,9-8+
InChIKeyKEXCNWISTVJVBV-SIRUGEDZSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.65
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4Z,7Z)-deca-2,4,7-trienal
CID 146449298
(2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal
CID 87856507
(2E,7Z)-deca-2,4,7-trienal
CID 86595204
(2E)-octa-2,5-dienal
CID 152586701
(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenal
CID 10987375
(2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal
CID 10081647
(2Z,4E)-octadeca-2,4,6,15-tetraenal
CID 175749162
pentadeca-3,6,9,12-tetraene
CID 123748490
(2Z,4Z,7E)-deca-2,4,7-triene
CID 142167538
henicosa-3,6,9,12,15,18-hexaenal
CID 123986237
(3Z,6Z)-nona-3,6-dienal
CID 5352808
docosa-2,4,7,10,13,16,19-heptaen-1-ol
CID 74387239

Frequently Asked Questions

What is the IUPAC name of (2E,4E,7E)-deca-2,4,7-trienal?
The IUPAC name of (2E,4E,7E)-deca-2,4,7-trienal (CID 5283352) is (2E,4E,7E)-deca-2,4,7-trienal.
What is the SMILES notation for (2E,4E,7E)-deca-2,4,7-trienal?
The canonical SMILES for (2E,4E,7E)-deca-2,4,7-trienal is CC/C=C/C/C=C/C=C/C=O.
What is the InChIKey of (2E,4E,7E)-deca-2,4,7-trienal?
The InChIKey is KEXCNWISTVJVBV-SIRUGEDZSA-N. The full InChI is InChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-10H,2,5H2,1H3/b4-3+,7-6+,9-8+.
What are the key properties of (2E,4E,7E)-deca-2,4,7-trienal?
(2E,4E,7E)-deca-2,4,7-trienal has a molecular weight of 150.22 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,7E)-deca-2,4,7-trienal is sourced from PubChem (CID 5283352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).