ethane;(3E,5E,7E,9E)-7-ethenyl-3,6,10,11,11-pentamethyldodeca-1,3,5,7,9-pentaene

C21H34 — CID 144776425

IUPACethane;(3E,5E,7E,9E)-7-ethenyl-3,6,10,11,11-pentamethyldodeca-1,3,5,7,9-pentaene
SMILESC=C/C(C)=C/C=C(C)/C(C=C)=C/C=C(\C)C(C)(C)C.CC
InChIInChI=1S/C19H28.C2H6/c1-9-15(3)11-12-16(4)18(10-2)14-13-17(5)19(6,7)8;1-2/h9-14H,1-2H2,3-8H3;1-2H3/b15-11+,16-12+,17-13+,18-14+;
InChIKeyHUYIWOGKSUDGIT-CPXXYRAZSA-N
MW286.50 g/mol
LogP7.20
Rot. Bonds5

About ethane;(3E,5E,7E,9E)-7-ethenyl-3,6,10,11,11-pentamethyldodeca-1,3,5,7,9-pentaene

ethane;(3E,5E,7E,9E)-7-ethenyl-3,6,10,11,11-pentamethyldodeca-1,3,5,7,9-pentaene (PubChem CID 144776425) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is ethane;(3E,5E,7E,9E)-7-ethenyl-3,6,10,11,11-pentamethyldodeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Nameethane;(3E,5E,7E,9E)-7-ethenyl-3,6,10,11,11-pentamethyldodeca-1,3,5,7,9-pentaene
PubChem CID144776425
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Nameethane;(3E,5E,7E,9E)-7-ethenyl-3,6,10,11,11-pentamethyldodeca-1,3,5,7,9-pentaene
SMILESC=C/C(C)=C/C=C(C)/C(C=C)=C/C=C(\C)C(C)(C)C.CC
InChIInChI=1S/C19H28.C2H6/c1-9-15(3)11-12-16(4)18(10-2)14-13-17(5)19(6,7)8;1-2/h9-14H,1-2H2,3-8H3;1-2H3/b15-11+,16-12+,17-13+,18-14+;
InChIKeyHUYIWOGKSUDGIT-CPXXYRAZSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 57.20
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

(Z)-but-2-ene;(3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraene
CID 163402506
(3Z)-3,6-dimethylhepta-1,3,5-triene;ethane;2-methylprop-1-ene
CID 145084506
ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
CID 145383595
(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]hydrazine
CID 91028971
(3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane
CID 143902080
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
methyl (2E,4E)-2,5-dimethylhepta-2,4,6-trienoate
CID 87948961
(3E,5E)-7,7-difluoro-3,6-dimethylhepta-1,3,5-triene
CID 134447442
(E)-N-ethenyl-3,4,4-trimethylpent-2-en-1-imine
CID 166788364
(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
CID 88558934
(3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene
CID 167003915
(2E,4E)-5-ethenyl-2,6-dimethylhepta-2,4,6-trienoic acid
CID 144874397

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5E,7E,9E)-7-ethenyl-3,6,10,11,11-pentamethyldodeca-1,3,5,7,9-pentaene?
The IUPAC name of ethane;(3E,5E,7E,9E)-7-ethenyl-3,6,10,11,11-pentamethyldodeca-1,3,5,7,9-pentaene (CID 144776425) is ethane;(3E,5E,7E,9E)-7-ethenyl-3,6,10,11,11-pentamethyldodeca-1,3,5,7,9-pentaene.
What is the SMILES notation for ethane;(3E,5E,7E,9E)-7-ethenyl-3,6,10,11,11-pentamethyldodeca-1,3,5,7,9-pentaene?
The canonical SMILES for ethane;(3E,5E,7E,9E)-7-ethenyl-3,6,10,11,11-pentamethyldodeca-1,3,5,7,9-pentaene is C=C/C(C)=C/C=C(C)/C(C=C)=C/C=C(\C)C(C)(C)C.CC.
What is the InChIKey of ethane;(3E,5E,7E,9E)-7-ethenyl-3,6,10,11,11-pentamethyldodeca-1,3,5,7,9-pentaene?
The InChIKey is HUYIWOGKSUDGIT-CPXXYRAZSA-N. The full InChI is InChI=1S/C19H28.C2H6/c1-9-15(3)11-12-16(4)18(10-2)14-13-17(5)19(6,7)8;1-2/h9-14H,1-2H2,3-8H3;1-2H3/b15-11+,16-12+,17-13+,18-14+;.
What are the key properties of ethane;(3E,5E,7E,9E)-7-ethenyl-3,6,10,11,11-pentamethyldodeca-1,3,5,7,9-pentaene?
ethane;(3E,5E,7E,9E)-7-ethenyl-3,6,10,11,11-pentamethyldodeca-1,3,5,7,9-pentaene has a molecular weight of 286.50 g/mol, XLogP of 7.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5E,7E,9E)-7-ethenyl-3,6,10,11,11-pentamethyldodeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 144776425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).