acetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene

C23H40O — CID 144983518

IUPACacetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene
SMILESC=C/C(=C\C=C/C)CCC(CCC)C(/C=C\C)=C/C.CC.CC=O
InChIInChI=1S/C19H30.C2H4O.C2H6/c1-6-11-14-17(9-4)15-16-19(13-8-3)18(10-5)12-7-2;1-2-3;1-2/h6-7,9-12,14,19H,4,8,13,15-16H2,1-3,5H3;2H,1H3;1-2H3/b11-6-,12-7-,17-14+,18-10+;;
InChIKeyKMGKZKXISROQIQ-JTCCKJSHSA-N
MW332.57 g/mol
LogP7.63
Rot. Bonds9

About acetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene

acetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene (PubChem CID 144983518) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is acetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene.

Molecular Properties

Compound Nameacetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene
PubChem CID144983518
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Nameacetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene
SMILESC=C/C(=C\C=C/C)CCC(CCC)C(/C=C\C)=C/C.CC.CC=O
InChIInChI=1S/C19H30.C2H4O.C2H6/c1-6-11-14-17(9-4)15-16-19(13-8-3)18(10-5)12-7-2;1-2-3;1-2/h6-7,9-12,14,19H,4,8,13,15-16H2,1-3,5H3;2H,1H3;1-2H3/b11-6-,12-7-,17-14+,18-10+;;
InChIKeyKMGKZKXISROQIQ-JTCCKJSHSA-N
XLogP7.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze acetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene with MolForge

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Related Compounds

2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol
CID 144536023
cyclohexane;(8Z,10Z)-8-ethenyl-3-ethyldodeca-8,10-dien-2-one
CID 142864253
(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine
CID 88579233
(2E,4Z)-5-[(Z)-prop-1-enyl]-6-propylnona-2,4-dienenitrile
CID 130216561
ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
CID 143793219
ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine
CID 144617318
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate
CID 89020772
4-methylidene-5-propyloct-2-ene
CID 90714762
2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide
CID 154930180
(Z)-5-ethyl-4-ethylidenehept-2-ene
CID 58547926
(2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile
CID 142155560
ethane;(6Z,8Z)-5-methyl-6-[(Z)-prop-1-enyl]deca-6,8-dienamide
CID 143222339

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene?
The IUPAC name of acetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene (CID 144983518) is acetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene.
What is the SMILES notation for acetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene?
The canonical SMILES for acetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene is C=C/C(=C\C=C/C)CCC(CCC)C(/C=C\C)=C/C.CC.CC=O.
What is the InChIKey of acetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene?
The InChIKey is KMGKZKXISROQIQ-JTCCKJSHSA-N. The full InChI is InChI=1S/C19H30.C2H4O.C2H6/c1-6-11-14-17(9-4)15-16-19(13-8-3)18(10-5)12-7-2;1-2-3;1-2/h6-7,9-12,14,19H,4,8,13,15-16H2,1-3,5H3;2H,1H3;1-2H3/b11-6-,12-7-,17-14+,18-10+;;.
What are the key properties of acetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene?
acetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene has a molecular weight of 332.57 g/mol, XLogP of 7.63, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene is sourced from PubChem (CID 144983518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).