ethane;(6Z)-2,2,7,11-tetramethyl-4-phenyldodeca-6,10-dienenitrile

C24H37N — CID 159524764

IUPACethane;(6Z)-2,2,7,11-tetramethyl-4-phenyldodeca-6,10-dienenitrile
SMILESCC.CC(C)=CCC/C(C)=C\CC(CC(C)(C)C#N)c1ccccc1
InChIInChI=1S/C22H31N.C2H6/c1-18(2)10-9-11-19(3)14-15-21(16-22(4,5)17-23)20-12-7-6-8-13-20;1-2/h6-8,10,12-14,21H,9,11,15-16H2,1-5H3;1-2H3/b19-14-;
InChIKeyMCGBFRLJMJSUBN-YEBWQKSTSA-N
MW339.57 g/mol
LogP7.82
Rot. Bonds8

About ethane;(6Z)-2,2,7,11-tetramethyl-4-phenyldodeca-6,10-dienenitrile

ethane;(6Z)-2,2,7,11-tetramethyl-4-phenyldodeca-6,10-dienenitrile (PubChem CID 159524764) has the molecular formula C24H37N and a molecular weight of 339.57 g/mol. Its IUPAC name is ethane;(6Z)-2,2,7,11-tetramethyl-4-phenyldodeca-6,10-dienenitrile.

Molecular Properties

Compound Nameethane;(6Z)-2,2,7,11-tetramethyl-4-phenyldodeca-6,10-dienenitrile
PubChem CID159524764
Molecular FormulaC24H37N
Molecular Weight339.57 g/mol
Exact Mass339.29
IUPAC Nameethane;(6Z)-2,2,7,11-tetramethyl-4-phenyldodeca-6,10-dienenitrile
SMILESCC.CC(C)=CCC/C(C)=C\CC(CC(C)(C)C#N)c1ccccc1
InChIInChI=1S/C22H31N.C2H6/c1-18(2)10-9-11-19(3)14-15-21(16-22(4,5)17-23)20-12-7-6-8-13-20;1-2/h6-8,10,12-14,21H,9,11,15-16H2,1-5H3;1-2H3/b19-14-;
InChIKeyMCGBFRLJMJSUBN-YEBWQKSTSA-N
XLogP7.82
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 153444054
ethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene
CID 158695222
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-phenylbutane-1,3-dione
CID 10063286
methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate
CID 45114266
[(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane
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CID 70359002
(1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol
CID 12809100
(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid
CID 6476245
2,3-bis[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-dione
CID 53361119
4-(5,9-dimethyl-2-phenyldeca-4,8-dienoyl)oxy-2,4-diphenylbutanoic acid
CID 57137592
2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid
CID 173203738

Frequently Asked Questions

What is the IUPAC name of ethane;(6Z)-2,2,7,11-tetramethyl-4-phenyldodeca-6,10-dienenitrile?
The IUPAC name of ethane;(6Z)-2,2,7,11-tetramethyl-4-phenyldodeca-6,10-dienenitrile (CID 159524764) is ethane;(6Z)-2,2,7,11-tetramethyl-4-phenyldodeca-6,10-dienenitrile.
What is the SMILES notation for ethane;(6Z)-2,2,7,11-tetramethyl-4-phenyldodeca-6,10-dienenitrile?
The canonical SMILES for ethane;(6Z)-2,2,7,11-tetramethyl-4-phenyldodeca-6,10-dienenitrile is CC.CC(C)=CCC/C(C)=C\CC(CC(C)(C)C#N)c1ccccc1.
What is the InChIKey of ethane;(6Z)-2,2,7,11-tetramethyl-4-phenyldodeca-6,10-dienenitrile?
The InChIKey is MCGBFRLJMJSUBN-YEBWQKSTSA-N. The full InChI is InChI=1S/C22H31N.C2H6/c1-18(2)10-9-11-19(3)14-15-21(16-22(4,5)17-23)20-12-7-6-8-13-20;1-2/h6-8,10,12-14,21H,9,11,15-16H2,1-5H3;1-2H3/b19-14-;.
What are the key properties of ethane;(6Z)-2,2,7,11-tetramethyl-4-phenyldodeca-6,10-dienenitrile?
ethane;(6Z)-2,2,7,11-tetramethyl-4-phenyldodeca-6,10-dienenitrile has a molecular weight of 339.57 g/mol, XLogP of 7.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6Z)-2,2,7,11-tetramethyl-4-phenyldodeca-6,10-dienenitrile is sourced from PubChem (CID 159524764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).