(6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene

C21H38 — CID 166123890

IUPAC(6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene
SMILESC=C(C)CCCC(/C=C(\C)C(C)(C)C)=C(/CC)C(C)(C)C
InChIInChI=1S/C21H38/c1-11-19(21(8,9)10)18(14-12-13-16(2)3)15-17(4)20(5,6)7/h15H,2,11-14H2,1,3-10H3/b17-15+,19-18+
InChIKeyDQYPTIFKPVCBFC-CBNHHMLQSA-N
MW290.54 g/mol
LogP7.48
Rot. Bonds6

About (6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene

(6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene (PubChem CID 166123890) has the molecular formula C21H38 and a molecular weight of 290.54 g/mol. Its IUPAC name is (6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene.

Molecular Properties

Compound Name(6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene
PubChem CID166123890
Molecular FormulaC21H38
Molecular Weight290.54 g/mol
Exact Mass290.30
IUPAC Name(6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene
SMILESC=C(C)CCCC(/C=C(\C)C(C)(C)C)=C(/CC)C(C)(C)C
InChIInChI=1S/C21H38/c1-11-19(21(8,9)10)18(14-12-13-16(2)3)15-17(4)20(5,6)7/h15H,2,11-14H2,1,3-10H3/b17-15+,19-18+
InChIKeyDQYPTIFKPVCBFC-CBNHHMLQSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.54
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 3036401
2-methylhex-1-ene
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(E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine
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2,7-dimethylocta-1,7-diene;hydron
CID 174323451
2,14-dimethylpentadeca-1,14-diene
CID 123962057
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
2,20-dimethylhenicosa-1,20-diene;ethane;propane
CID 156639867
(Z)-3-ethyl-2,2,4-trimethylhex-3-ene
CID 142554814
(4E,6Z)-6-butan-2-ylidene-2,11-dimethyldodeca-4,11-dien-4-amine
CID 174352181
3,7,11-trimethyldodeca-1,6,11-trien-3-ol
CID 54462600
ethane;2-methylhept-1-ene
CID 143682307

Frequently Asked Questions

What is the IUPAC name of (6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene?
The IUPAC name of (6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene (CID 166123890) is (6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene.
What is the SMILES notation for (6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene?
The canonical SMILES for (6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene is C=C(C)CCCC(/C=C(\C)C(C)(C)C)=C(/CC)C(C)(C)C.
What is the InChIKey of (6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene?
The InChIKey is DQYPTIFKPVCBFC-CBNHHMLQSA-N. The full InChI is InChI=1S/C21H38/c1-11-19(21(8,9)10)18(14-12-13-16(2)3)15-17(4)20(5,6)7/h15H,2,11-14H2,1,3-10H3/b17-15+,19-18+.
What are the key properties of (6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene?
(6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene has a molecular weight of 290.54 g/mol, XLogP of 7.48, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene is sourced from PubChem (CID 166123890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).