ethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene

C15H28 — CID 143267844

IUPACethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene
SMILESC=C/C=C(\C=C)C(C)C(C)CCC.CC
InChIInChI=1S/C13H22.C2H6/c1-6-9-11(4)12(5)13(8-3)10-7-2;1-2/h7-8,10-12H,2-3,6,9H2,1,4-5H3;1-2H3/b13-10+;
InChIKeyGDLZGFRQISEIMW-RSGUCCNWSA-N
MW208.39 g/mol
LogP5.38
Rot. Bonds6

About ethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene

ethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene (PubChem CID 143267844) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is ethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene.

Molecular Properties

Compound Nameethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene
PubChem CID143267844
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Nameethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene
SMILESC=C/C=C(\C=C)C(C)C(C)CCC.CC
InChIInChI=1S/C13H22.C2H6/c1-6-9-11(4)12(5)13(8-3)10-7-2;1-2/h7-8,10-12H,2-3,6,9H2,1,4-5H3;1-2H3/b13-10+;
InChIKeyGDLZGFRQISEIMW-RSGUCCNWSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 162518558
ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene
CID 143201659
ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane
CID 142240938
ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol
CID 145139860
(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 142221873
(2S,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 126549063
ethane;5-methyloct-1-en-4-ol
CID 142059047
ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol
CID 156838266
(2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine
CID 154678805
(3R,4E)-4-ethenyl-3-methylhepta-4,6-dienoic acid
CID 145439672

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene?
The IUPAC name of ethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene (CID 143267844) is ethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene.
What is the SMILES notation for ethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene?
The canonical SMILES for ethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene is C=C/C=C(\C=C)C(C)C(C)CCC.CC.
What is the InChIKey of ethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene?
The InChIKey is GDLZGFRQISEIMW-RSGUCCNWSA-N. The full InChI is InChI=1S/C13H22.C2H6/c1-6-9-11(4)12(5)13(8-3)10-7-2;1-2/h7-8,10-12H,2-3,6,9H2,1,4-5H3;1-2H3/b13-10+;.
What are the key properties of ethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene?
ethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene has a molecular weight of 208.39 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene is sourced from PubChem (CID 143267844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).