3-tert-butyl-2,2,7,8,8-pentamethylnona-3,4,5,6-tetraene

C18H30 — CID 24978404

IUPAC3-tert-butyl-2,2,7,8,8-pentamethylnona-3,4,5,6-tetraene
SMILESCC(=C=C=C=C(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H30/c1-14(16(2,3)4)12-11-13-15(17(5,6)7)18(8,9)10/h1-10H3
InChIKeyYUQYXMSQSZETGR-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.91
Rot. Bonds

About 3-tert-butyl-2,2,7,8,8-pentamethylnona-3,4,5,6-tetraene

3-tert-butyl-2,2,7,8,8-pentamethylnona-3,4,5,6-tetraene (PubChem CID 24978404) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 3-tert-butyl-2,2,7,8,8-pentamethylnona-3,4,5,6-tetraene.

Molecular Properties

Compound Name3-tert-butyl-2,2,7,8,8-pentamethylnona-3,4,5,6-tetraene
PubChem CID24978404
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name3-tert-butyl-2,2,7,8,8-pentamethylnona-3,4,5,6-tetraene
SMILESCC(=C=C=C=C(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H30/c1-14(16(2,3)4)12-11-13-15(17(5,6)7)18(8,9)10/h1-10H3
InChIKeyYUQYXMSQSZETGR-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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4,5,5-trimethylhexa-2,3-dienenitrile
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hydroxy-oxo-(4,5,5-trimethylhexa-2,3-dien-2-yl)phosphanium
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2,2-dimethylpropane;2-methylbut-1-ene
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ethyl 2,2,5,6,6-pentamethylhepta-3,4-dienoate
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lithium (3E)-2,2,4,5-tetramethylhexa-3,5-dien-3-olate
CID 134987526
16,18-dimethyldotriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31-nonacosaene
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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,2,7,8,8-pentamethylnona-3,4,5,6-tetraene?
The IUPAC name of 3-tert-butyl-2,2,7,8,8-pentamethylnona-3,4,5,6-tetraene (CID 24978404) is 3-tert-butyl-2,2,7,8,8-pentamethylnona-3,4,5,6-tetraene.
What is the SMILES notation for 3-tert-butyl-2,2,7,8,8-pentamethylnona-3,4,5,6-tetraene?
The canonical SMILES for 3-tert-butyl-2,2,7,8,8-pentamethylnona-3,4,5,6-tetraene is CC(=C=C=C=C(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2,2,7,8,8-pentamethylnona-3,4,5,6-tetraene?
The InChIKey is YUQYXMSQSZETGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-14(16(2,3)4)12-11-13-15(17(5,6)7)18(8,9)10/h1-10H3.
What are the key properties of 3-tert-butyl-2,2,7,8,8-pentamethylnona-3,4,5,6-tetraene?
3-tert-butyl-2,2,7,8,8-pentamethylnona-3,4,5,6-tetraene has a molecular weight of 246.44 g/mol, XLogP of 5.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,2,7,8,8-pentamethylnona-3,4,5,6-tetraene is sourced from PubChem (CID 24978404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).