(2E,4E,6Z)-4-ethenylocta-2,4,6-trienal

C10H12O — CID 134857997

IUPAC(2E,4E,6Z)-4-ethenylocta-2,4,6-trienal
SMILESC=CC(/C=C/C=O)=C\C=C/C
InChIInChI=1S/C10H12O/c1-3-5-7-10(4-2)8-6-9-11/h3-9H,2H2,1H3/b5-3-,8-6+,10-7+
InChIKeyFWMQGRSPSCGXLC-IHRINHRHSA-N
MW148.20 g/mol
LogP2.43
Rot. Bonds4

About (2E,4E,6Z)-4-ethenylocta-2,4,6-trienal

(2E,4E,6Z)-4-ethenylocta-2,4,6-trienal (PubChem CID 134857997) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is (2E,4E,6Z)-4-ethenylocta-2,4,6-trienal.

Molecular Properties

Compound Name(2E,4E,6Z)-4-ethenylocta-2,4,6-trienal
PubChem CID134857997
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name(2E,4E,6Z)-4-ethenylocta-2,4,6-trienal
SMILESC=CC(/C=C/C=O)=C\C=C/C
InChIInChI=1S/C10H12O/c1-3-5-7-10(4-2)8-6-9-11/h3-9H,2H2,1H3/b5-3-,8-6+,10-7+
InChIKeyFWMQGRSPSCGXLC-IHRINHRHSA-N
XLogP2.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.43
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,4-Decadienal
CID 5283349
(E)-2-Pentenal
CID 5364752
Orange Oil
CID 62161
trans-2,cis-6-Nonadienal
CID 643731
(2Z,4E)-Nona-2,4-Dienal
CID 6428555
2,4-Heptadienal
CID 5283321
alpha-Sinensal
CID 5281534
beta-SINENSAL
CID 5281535
2,4-Octadienal, (2E,4E)-
CID 5283329
Nona-2,4-dienal
CID 23203
2-Ethyl-3-propylacrolein
CID 5354264
(E)-2-Methyl-2-pentenal
CID 5319754

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z)-4-ethenylocta-2,4,6-trienal?
The IUPAC name of (2E,4E,6Z)-4-ethenylocta-2,4,6-trienal (CID 134857997) is (2E,4E,6Z)-4-ethenylocta-2,4,6-trienal.
What is the SMILES notation for (2E,4E,6Z)-4-ethenylocta-2,4,6-trienal?
The canonical SMILES for (2E,4E,6Z)-4-ethenylocta-2,4,6-trienal is C=CC(/C=C/C=O)=C\C=C/C.
What is the InChIKey of (2E,4E,6Z)-4-ethenylocta-2,4,6-trienal?
The InChIKey is FWMQGRSPSCGXLC-IHRINHRHSA-N. The full InChI is InChI=1S/C10H12O/c1-3-5-7-10(4-2)8-6-9-11/h3-9H,2H2,1H3/b5-3-,8-6+,10-7+.
What are the key properties of (2E,4E,6Z)-4-ethenylocta-2,4,6-trienal?
(2E,4E,6Z)-4-ethenylocta-2,4,6-trienal has a molecular weight of 148.20 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-4-ethenylocta-2,4,6-trienal is sourced from PubChem (CID 134857997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).