(4Z,7Z,8Z)-5-ethenyl-2,10-dimethyl-7-(2-methylpropylidene)undeca-2,4,8-triene

C19H30 — CID 142216572

IUPAC(4Z,7Z,8Z)-5-ethenyl-2,10-dimethyl-7-(2-methylpropylidene)undeca-2,4,8-triene
SMILESC=C/C(=C\C=C(C)C)CC(/C=C\C(C)C)=C/C(C)C
InChIInChI=1S/C19H30/c1-8-18(11-9-15(2)3)14-19(13-17(6)7)12-10-16(4)5/h8-13,16-17H,1,14H2,2-7H3/b12-10-,18-11+,19-13+
InChIKeyPWYZTZJBCICKJB-UPHIPDQKSA-N
MW258.45 g/mol
LogP6.25
Rot. Bonds7

About (4Z,7Z,8Z)-5-ethenyl-2,10-dimethyl-7-(2-methylpropylidene)undeca-2,4,8-triene

(4Z,7Z,8Z)-5-ethenyl-2,10-dimethyl-7-(2-methylpropylidene)undeca-2,4,8-triene (PubChem CID 142216572) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is (4Z,7Z,8Z)-5-ethenyl-2,10-dimethyl-7-(2-methylpropylidene)undeca-2,4,8-triene.

Molecular Properties

Compound Name(4Z,7Z,8Z)-5-ethenyl-2,10-dimethyl-7-(2-methylpropylidene)undeca-2,4,8-triene
PubChem CID142216572
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name(4Z,7Z,8Z)-5-ethenyl-2,10-dimethyl-7-(2-methylpropylidene)undeca-2,4,8-triene
SMILESC=C/C(=C\C=C(C)C)CC(/C=C\C(C)C)=C/C(C)C
InChIInChI=1S/C19H30/c1-8-18(11-9-15(2)3)14-19(13-17(6)7)12-10-16(4)5/h8-13,16-17H,1,14H2,2-7H3/b12-10-,18-11+,19-13+
InChIKeyPWYZTZJBCICKJB-UPHIPDQKSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.25
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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(3E,5Z)-6-ethenyl-3,8-dimethylnona-3,5-dienoic acid
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(2E)-2-ethenyl-5-methyl-N-(2,2,2-trifluoro-1-methoxyethyl)hexa-2,4-dien-1-amine
CID 162564197
4-bromo-3-fluoro-7-methylocta-1,3,5-triene
CID 123787783
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene
CID 162298747
(3Z,5E)-3,7-dimethylocta-1,3,5-triene
CID 6436632
(2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine
CID 142101563
1-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-3,5-dimethylbenzene
CID 156737958
(4Z,6E)-2-amino-4-ethenyl-7-hydroxyocta-4,6-dienoic acid;ethane
CID 163388832
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane
CID 162272245
5-methylhex-3-en-2-one;palladium(2+);dichloride
CID 173341273

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,8Z)-5-ethenyl-2,10-dimethyl-7-(2-methylpropylidene)undeca-2,4,8-triene?
The IUPAC name of (4Z,7Z,8Z)-5-ethenyl-2,10-dimethyl-7-(2-methylpropylidene)undeca-2,4,8-triene (CID 142216572) is (4Z,7Z,8Z)-5-ethenyl-2,10-dimethyl-7-(2-methylpropylidene)undeca-2,4,8-triene.
What is the SMILES notation for (4Z,7Z,8Z)-5-ethenyl-2,10-dimethyl-7-(2-methylpropylidene)undeca-2,4,8-triene?
The canonical SMILES for (4Z,7Z,8Z)-5-ethenyl-2,10-dimethyl-7-(2-methylpropylidene)undeca-2,4,8-triene is C=C/C(=C\C=C(C)C)CC(/C=C\C(C)C)=C/C(C)C.
What is the InChIKey of (4Z,7Z,8Z)-5-ethenyl-2,10-dimethyl-7-(2-methylpropylidene)undeca-2,4,8-triene?
The InChIKey is PWYZTZJBCICKJB-UPHIPDQKSA-N. The full InChI is InChI=1S/C19H30/c1-8-18(11-9-15(2)3)14-19(13-17(6)7)12-10-16(4)5/h8-13,16-17H,1,14H2,2-7H3/b12-10-,18-11+,19-13+.
What are the key properties of (4Z,7Z,8Z)-5-ethenyl-2,10-dimethyl-7-(2-methylpropylidene)undeca-2,4,8-triene?
(4Z,7Z,8Z)-5-ethenyl-2,10-dimethyl-7-(2-methylpropylidene)undeca-2,4,8-triene has a molecular weight of 258.45 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,8Z)-5-ethenyl-2,10-dimethyl-7-(2-methylpropylidene)undeca-2,4,8-triene is sourced from PubChem (CID 142216572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).