ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene

C19H34 — CID 143865216

IUPACethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene
SMILESC=C.C=C/C=C(C)\C(C=C)=C(C)/C=C\C.CC.CC
InChIInChI=1S/C13H18.2C2H6.C2H4/c1-6-9-11(4)13(8-3)12(5)10-7-2;3*1-2/h6-10H,1,3H2,2,4-5H3;2*1-2H3;1-2H2/b10-7-,11-9-,13-12-;;;
InChIKeyZEMKEJDCSIKYHC-GQRAXARBSA-N
MW262.48 g/mol
LogP7.05
Rot. Bonds4

About ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene

ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene (PubChem CID 143865216) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene.

Molecular Properties

Compound Nameethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene
PubChem CID143865216
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Nameethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene
SMILESC=C.C=C/C=C(C)\C(C=C)=C(C)/C=C\C.CC.CC
InChIInChI=1S/C13H18.2C2H6.C2H4/c1-6-9-11(4)13(8-3)12(5)10-7-2;3*1-2/h6-10H,1,3H2,2,4-5H3;2*1-2H3;1-2H2/b10-7-,11-9-,13-12-;;;
InChIKeyZEMKEJDCSIKYHC-GQRAXARBSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 57.05
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

(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene
CID 21336128
4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene
CID 59890757
(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene
CID 166107909
(2Z,4E,6E,8Z)-6-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraene
CID 143312341
6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 123254691
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
CID 143254400
(3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene
CID 145164686
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
(3E,5Z)-4-bromo-3-methylhepta-1,3,5-triene
CID 144800259
2-[(3Z,5E,7Z)-4,6-dimethylnona-1,3,5,7-tetraen-5-yl]oxyacetic acid
CID 142823734
ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
CID 145383595

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene?
The IUPAC name of ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene (CID 143865216) is ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene.
What is the SMILES notation for ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene?
The canonical SMILES for ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene is C=C.C=C/C=C(C)\C(C=C)=C(C)/C=C\C.CC.CC.
What is the InChIKey of ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene?
The InChIKey is ZEMKEJDCSIKYHC-GQRAXARBSA-N. The full InChI is InChI=1S/C13H18.2C2H6.C2H4/c1-6-9-11(4)13(8-3)12(5)10-7-2;3*1-2/h6-10H,1,3H2,2,4-5H3;2*1-2H3;1-2H2/b10-7-,11-9-,13-12-;;;.
What are the key properties of ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene?
ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene has a molecular weight of 262.48 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene is sourced from PubChem (CID 143865216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).