(3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen

C14H24 — CID 144794345

IUPAC(3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen
SMILESC=C(C)/C=C\C(=C)/C=C/C(=C)C.CC.[H][H]
InChIInChI=1S/C12H16.C2H6.H2/c1-10(2)6-8-12(5)9-7-11(3)4;1-2;/h6-9H,1,3,5H2,2,4H3;1-2H3;1H/b8-6-,9-7+;;
InChIKeyWFPGOUCZVPWKJW-UYYQRFHASA-N
MW192.35 g/mol
LogP5.08
Rot. Bonds4

About (3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen

(3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen (PubChem CID 144794345) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is (3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen.

Molecular Properties

Compound Name(3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen
PubChem CID144794345
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name(3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen
SMILESC=C(C)/C=C\C(=C)/C=C/C(=C)C.CC.[H][H]
InChIInChI=1S/C12H16.C2H6.H2/c1-10(2)6-8-12(5)9-7-11(3)4;1-2;/h6-9H,1,3,5H2,2,4H3;1-2H3;1H/b8-6-,9-7+;;
InChIKeyWFPGOUCZVPWKJW-UYYQRFHASA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500192.35
LogP ≤ 55.08
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

(3Z)-2-methyl-5-methylidenehepta-1,3,6-triene
CID 58174936
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
(3Z,6Z)-2,6-dimethyl-5-methylideneocta-1,3,6-triene
CID 166131805
(3Z,5E)-5-bromo-2-methylhepta-1,3,5-triene;ethane
CID 144637545
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 144843023
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 145336589
[(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene
CID 142883812
ethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine
CID 143072241
ethane;(3Z)-2-methoxy-5-methylhexa-1,3,5-triene
CID 144626557

Frequently Asked Questions

What is the IUPAC name of (3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen?
The IUPAC name of (3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen (CID 144794345) is (3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen.
What is the SMILES notation for (3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen?
The canonical SMILES for (3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen is C=C(C)/C=C\C(=C)/C=C/C(=C)C.CC.[H][H].
What is the InChIKey of (3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen?
The InChIKey is WFPGOUCZVPWKJW-UYYQRFHASA-N. The full InChI is InChI=1S/C12H16.C2H6.H2/c1-10(2)6-8-12(5)9-7-11(3)4;1-2;/h6-9H,1,3,5H2,2,4H3;1-2H3;1H/b8-6-,9-7+;;.
What are the key properties of (3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen?
(3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen has a molecular weight of 192.35 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen is sourced from PubChem (CID 144794345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).