ethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal

C15H23NO — CID 144947771

IUPACethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal
SMILESCC.[H]N=C(C=CC)/C(C=C)=C/C=C(\C)CC=O
InChIInChI=1S/C13H17NO.C2H6/c1-4-6-13(14)12(5-2)8-7-11(3)9-10-15;1-2/h4-8,10,14H,2,9H2,1,3H3;1-2H3/b6-4-,11-7+,12-8+,14-13+;
InChIKeyPHVBMUSFLQANSX-MCERZFRCSA-N
MW233.35 g/mol
LogP4.26
Rot. Bonds6

About ethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal

ethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal (PubChem CID 144947771) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is ethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal.

Molecular Properties

Compound Nameethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal
PubChem CID144947771
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Nameethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal
SMILESCC.[H]N=C(C=CC)/C(C=C)=C/C=C(\C)CC=O
InChIInChI=1S/C13H17NO.C2H6/c1-4-6-13(14)12(5-2)8-7-11(3)9-10-15;1-2/h4-8,10,14H,2,9H2,1,3H3;1-2H3/b6-4-,11-7+,12-8+,14-13+;
InChIKeyPHVBMUSFLQANSX-MCERZFRCSA-N
XLogP4.26
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-2-ethanimidoyl-4-fluorohexa-2,4-dienal
CID 168203233
(3Z)-7-ethanimidoyl-8-methyl-2,5,6-trimethylidenenona-3,7-dienal
CID 123708822
2-[(1E)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)ethyl]pentanal
CID 132135252
(Z)-5-imino-2-methylidenehex-3-enal
CID 142197495
ethane;(2E,4E,5Z)-5-ethanimidoyl-2-ethyl-4-ethylidenehepta-2,5-dienal
CID 142806084
(4Z,8Z,11Z)-12-amino-11-methyl-3,6,7,10-tetramethylidene-13-methyliminotetradeca-4,8,11-trienal;methane
CID 144533575
(Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal
CID 146288742
(Z)-5-imino-2-propan-2-ylidenehex-3-enal
CID 146288744
(Z,2E)-2-ethylidene-5-imino-3-methylhex-3-enal
CID 146288826
(3E,5Z)-2-imino-5-(2-propyliminoethyl)hepta-3,5-dienal
CID 163692159
2-[(3R)-2-amino-3-methylcyclohepta-1,4,6-trien-1-yl]-2-iminoacetaldehyde
CID 163729299
(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal
CID 142046945

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal?
The IUPAC name of ethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal (CID 144947771) is ethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal.
What is the SMILES notation for ethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal?
The canonical SMILES for ethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal is CC.[H]N=C(C=CC)/C(C=C)=C/C=C(\C)CC=O.
What is the InChIKey of ethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal?
The InChIKey is PHVBMUSFLQANSX-MCERZFRCSA-N. The full InChI is InChI=1S/C13H17NO.C2H6/c1-4-6-13(14)12(5-2)8-7-11(3)9-10-15;1-2/h4-8,10,14H,2,9H2,1,3H3;1-2H3/b6-4-,11-7+,12-8+,14-13+;.
What are the key properties of ethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal?
ethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal has a molecular weight of 233.35 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal is sourced from PubChem (CID 144947771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).