6-tert-butyl-4,5,7,8,8-pentamethylnona-2,4-diene

C18H34 — CID 123391151

IUPAC6-tert-butyl-4,5,7,8,8-pentamethylnona-2,4-diene
SMILESCC=CC(C)=C(C)C(C(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H34/c1-11-12-13(2)14(3)16(18(8,9)10)15(4)17(5,6)7/h11-12,15-16H,1-10H3
InChIKeySTFMMOWLYSQXOE-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.24
Rot. Bonds3

About 6-tert-butyl-4,5,7,8,8-pentamethylnona-2,4-diene

6-tert-butyl-4,5,7,8,8-pentamethylnona-2,4-diene (PubChem CID 123391151) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 6-tert-butyl-4,5,7,8,8-pentamethylnona-2,4-diene.

Molecular Properties

Compound Name6-tert-butyl-4,5,7,8,8-pentamethylnona-2,4-diene
PubChem CID123391151
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name6-tert-butyl-4,5,7,8,8-pentamethylnona-2,4-diene
SMILESCC=CC(C)=C(C)C(C(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H34/c1-11-12-13(2)14(3)16(18(8,9)10)15(4)17(5,6)7/h11-12,15-16H,1-10H3
InChIKeySTFMMOWLYSQXOE-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.24
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

(2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene
CID 164597534
(3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol
CID 143682411
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
(E,5R)-5,6,6-trimethylhept-2-en-4-one
CID 134921683
(2R,3S)-3,4,4-trimethylpentan-2-ol
CID 58403064
(Z)-5,5,6-trimethylhept-2-en-4-one
CID 138709409
(3E)-2,3,4-trimethylhepta-1,3,5-triene
CID 161260818
(4E)-4,6,6-trimethylhepta-2,4-diene
CID 177420463
(2Z,4E,6Z)-N-(2,2-dimethylpropyl)-N,5-dimethylocta-2,4,6-trien-4-amine
CID 134580456
(2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol
CID 143045895
(2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene
CID 130242747
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4,5,7,8,8-pentamethylnona-2,4-diene?
The IUPAC name of 6-tert-butyl-4,5,7,8,8-pentamethylnona-2,4-diene (CID 123391151) is 6-tert-butyl-4,5,7,8,8-pentamethylnona-2,4-diene.
What is the SMILES notation for 6-tert-butyl-4,5,7,8,8-pentamethylnona-2,4-diene?
The canonical SMILES for 6-tert-butyl-4,5,7,8,8-pentamethylnona-2,4-diene is CC=CC(C)=C(C)C(C(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 6-tert-butyl-4,5,7,8,8-pentamethylnona-2,4-diene?
The InChIKey is STFMMOWLYSQXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-11-12-13(2)14(3)16(18(8,9)10)15(4)17(5,6)7/h11-12,15-16H,1-10H3.
What are the key properties of 6-tert-butyl-4,5,7,8,8-pentamethylnona-2,4-diene?
6-tert-butyl-4,5,7,8,8-pentamethylnona-2,4-diene has a molecular weight of 250.47 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4,5,7,8,8-pentamethylnona-2,4-diene is sourced from PubChem (CID 123391151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).