(4E,6Z)-7-ethenyl-2,4,9-trimethyldodeca-4,6-diene

C17H30 — CID 174092506

IUPAC(4E,6Z)-7-ethenyl-2,4,9-trimethyldodeca-4,6-diene
SMILESC=C/C(=C\C=C(/C)CC(C)C)CC(C)CCC
InChIInChI=1S/C17H30/c1-7-9-15(5)13-17(8-2)11-10-16(6)12-14(3)4/h8,10-11,14-15H,2,7,9,12-13H2,1,3-6H3/b16-10+,17-11+
InChIKeyBFCUGXPLUUINNM-OTYYAQKOSA-N
MW234.43 g/mol
LogP5.92
Rot. Bonds8

About (4E,6Z)-7-ethenyl-2,4,9-trimethyldodeca-4,6-diene

(4E,6Z)-7-ethenyl-2,4,9-trimethyldodeca-4,6-diene (PubChem CID 174092506) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is (4E,6Z)-7-ethenyl-2,4,9-trimethyldodeca-4,6-diene.

Molecular Properties

Compound Name(4E,6Z)-7-ethenyl-2,4,9-trimethyldodeca-4,6-diene
PubChem CID174092506
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name(4E,6Z)-7-ethenyl-2,4,9-trimethyldodeca-4,6-diene
SMILESC=C/C(=C\C=C(/C)CC(C)C)CC(C)CCC
InChIInChI=1S/C17H30/c1-7-9-15(5)13-17(8-2)11-10-16(6)12-14(3)4/h8,10-11,14-15H,2,7,9,12-13H2,1,3-6H3/b16-10+,17-11+
InChIKeyBFCUGXPLUUINNM-OTYYAQKOSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.92
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

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(E)-3,5-dimethyloct-2-enal
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(3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene
CID 169188657
(3Z,5E)-6,8-dimethylnona-1,3,5-triene
CID 174045679
(1E,3E,6S,8S,10S)-4,6,8,10-tetramethyltrideca-1,3-dien-1-ol
CID 146673582
(3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane
CID 145049129
5-methyloct-1-en-3-imine
CID 163230463
3-methylhexane;2-methylprop-1-ene
CID 165405684
4-methylheptan-2-imine
CID 90831955
ethane;4-methylheptan-2-one
CID 142986053
5-methyl-3-propan-2-yloct-2-ene
CID 123290549
(2E,4E)-2-ethenyl-5-methylhepta-2,4-dien-1-amine
CID 166720058

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-7-ethenyl-2,4,9-trimethyldodeca-4,6-diene?
The IUPAC name of (4E,6Z)-7-ethenyl-2,4,9-trimethyldodeca-4,6-diene (CID 174092506) is (4E,6Z)-7-ethenyl-2,4,9-trimethyldodeca-4,6-diene.
What is the SMILES notation for (4E,6Z)-7-ethenyl-2,4,9-trimethyldodeca-4,6-diene?
The canonical SMILES for (4E,6Z)-7-ethenyl-2,4,9-trimethyldodeca-4,6-diene is C=C/C(=C\C=C(/C)CC(C)C)CC(C)CCC.
What is the InChIKey of (4E,6Z)-7-ethenyl-2,4,9-trimethyldodeca-4,6-diene?
The InChIKey is BFCUGXPLUUINNM-OTYYAQKOSA-N. The full InChI is InChI=1S/C17H30/c1-7-9-15(5)13-17(8-2)11-10-16(6)12-14(3)4/h8,10-11,14-15H,2,7,9,12-13H2,1,3-6H3/b16-10+,17-11+.
What are the key properties of (4E,6Z)-7-ethenyl-2,4,9-trimethyldodeca-4,6-diene?
(4E,6Z)-7-ethenyl-2,4,9-trimethyldodeca-4,6-diene has a molecular weight of 234.43 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-7-ethenyl-2,4,9-trimethyldodeca-4,6-diene is sourced from PubChem (CID 174092506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).