ethane;(3E,5Z)-4-ethenyl-3-methylnona-1,3,5,8-tetraene

C18H34 — CID 143986521

IUPACethane;(3E,5Z)-4-ethenyl-3-methylnona-1,3,5,8-tetraene
SMILESC=CC/C=C\C(C=C)=C(/C)C=C.CC.CC.CC
InChIInChI=1S/C12H16.3C2H6/c1-5-8-9-10-12(7-3)11(4)6-2;3*1-2/h5-7,9-10H,1-3,8H2,4H3;3*1-2H3/b10-9-,12-11+;;;
InChIKeyDTJIVYPXOZOFTP-TWZJOZQQSA-N
MW250.47 g/mol
LogP6.89
Rot. Bonds5

About ethane;(3E,5Z)-4-ethenyl-3-methylnona-1,3,5,8-tetraene

ethane;(3E,5Z)-4-ethenyl-3-methylnona-1,3,5,8-tetraene (PubChem CID 143986521) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is ethane;(3E,5Z)-4-ethenyl-3-methylnona-1,3,5,8-tetraene.

Molecular Properties

Compound Nameethane;(3E,5Z)-4-ethenyl-3-methylnona-1,3,5,8-tetraene
PubChem CID143986521
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Nameethane;(3E,5Z)-4-ethenyl-3-methylnona-1,3,5,8-tetraene
SMILESC=CC/C=C\C(C=C)=C(/C)C=C.CC.CC.CC
InChIInChI=1S/C12H16.3C2H6/c1-5-8-9-10-12(7-3)11(4)6-2;3*1-2/h5-7,9-10H,1-3,8H2,4H3;3*1-2H3/b10-9-,12-11+;;;
InChIKeyDTJIVYPXOZOFTP-TWZJOZQQSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-ethenyl-4-methylhexa-1,3,5-triene
CID 162531355
ethane;(4Z,6E)-6-ethylnona-1,4,6-triene
CID 143827979
deca-3,6,9-trien-2-one
CID 139932510
6,7-difluoroocta-1,4,6-triene
CID 91531817
(4Z)-octa-1,4,7-trien-3-one
CID 134866608
(4Z,6Z)-6-but-3-en-2-ylidene-9-fluoro-9-methyldeca-1,4-diene;N,N-dimethylmethanamine
CID 144773838
(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842
(2Z)-hexa-2,5-dien-2-ol
CID 102117953
2-methylbuta-1,3-diene;penta-1,4-diene
CID 22568286
(3Z,5Z)-2-methylnona-1,3,5,8-tetraene
CID 144596669
(2E)-1-trimethylsilylhexa-2,5-dien-1-one
CID 11126675
(4E)-10-methyl-6-methylideneundeca-1,4,9-triene
CID 162518511

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5Z)-4-ethenyl-3-methylnona-1,3,5,8-tetraene?
The IUPAC name of ethane;(3E,5Z)-4-ethenyl-3-methylnona-1,3,5,8-tetraene (CID 143986521) is ethane;(3E,5Z)-4-ethenyl-3-methylnona-1,3,5,8-tetraene.
What is the SMILES notation for ethane;(3E,5Z)-4-ethenyl-3-methylnona-1,3,5,8-tetraene?
The canonical SMILES for ethane;(3E,5Z)-4-ethenyl-3-methylnona-1,3,5,8-tetraene is C=CC/C=C\C(C=C)=C(/C)C=C.CC.CC.CC.
What is the InChIKey of ethane;(3E,5Z)-4-ethenyl-3-methylnona-1,3,5,8-tetraene?
The InChIKey is DTJIVYPXOZOFTP-TWZJOZQQSA-N. The full InChI is InChI=1S/C12H16.3C2H6/c1-5-8-9-10-12(7-3)11(4)6-2;3*1-2/h5-7,9-10H,1-3,8H2,4H3;3*1-2H3/b10-9-,12-11+;;;.
What are the key properties of ethane;(3E,5Z)-4-ethenyl-3-methylnona-1,3,5,8-tetraene?
ethane;(3E,5Z)-4-ethenyl-3-methylnona-1,3,5,8-tetraene has a molecular weight of 250.47 g/mol, XLogP of 6.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5Z)-4-ethenyl-3-methylnona-1,3,5,8-tetraene is sourced from PubChem (CID 143986521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).