(1E,3E,5E,7E)-1,3,5,7-tetratert-butylcycloocta-1,3,5,7-tetraene

C24H40 — CID 10903585

IUPAC(1E,3E,5E,7E)-1,3,5,7-tetratert-butylcycloocta-1,3,5,7-tetraene
SMILESCC(C)(C)C1=C/C(C(C)(C)C)=C\C(C(C)(C)C)=C/C(C(C)(C)C)=C\1
InChIInChI=1S/C24H40/c1-21(2,3)17-13-18(22(4,5)6)15-20(24(10,11)12)16-19(14-17)23(7,8)9/h13-16H,1-12H3/b17-13+,17-14+,18-13+,18-15+,19-14+,19-16+,20-15+,20-16+
InChIKeyMZOKJNWVASRQSV-VJKWWKQNSA-N
MW328.58 g/mol
LogP7.89
Rot. Bonds

About (1E,3E,5E,7E)-1,3,5,7-tetratert-butylcycloocta-1,3,5,7-tetraene

(1E,3E,5E,7E)-1,3,5,7-tetratert-butylcycloocta-1,3,5,7-tetraene (PubChem CID 10903585) has the molecular formula C24H40 and a molecular weight of 328.58 g/mol. Its IUPAC name is (1E,3E,5E,7E)-1,3,5,7-tetratert-butylcycloocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(1E,3E,5E,7E)-1,3,5,7-tetratert-butylcycloocta-1,3,5,7-tetraene
PubChem CID10903585
Molecular FormulaC24H40
Molecular Weight328.58 g/mol
Exact Mass328.31
IUPAC Name(1E,3E,5E,7E)-1,3,5,7-tetratert-butylcycloocta-1,3,5,7-tetraene
SMILESCC(C)(C)C1=C/C(C(C)(C)C)=C\C(C(C)(C)C)=C/C(C(C)(C)C)=C\1
InChIInChI=1S/C24H40/c1-21(2,3)17-13-18(22(4,5)6)15-20(24(10,11)12)16-19(14-17)23(7,8)9/h13-16H,1-12H3/b17-13+,17-14+,18-13+,18-15+,19-14+,19-16+,20-15+,20-16+
InChIKeyMZOKJNWVASRQSV-VJKWWKQNSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1E,3E,5E,7E)-1,3,5,7-tetratert-butylcycloocta-1,3,5,7-tetraene with MolForge

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Related Compounds

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1,3-Pentadiene, 2,4-di-t-butyl-
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CID 328948
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2,6,6,9-Tetramethyl-3-methylidenecycloundeca-1,4,8-triene
CID 162866320
2-t-Butyl-4-methyl-1,3-pentadiene
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CID 14688283

Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E,7E)-1,3,5,7-tetratert-butylcycloocta-1,3,5,7-tetraene?
The IUPAC name of (1E,3E,5E,7E)-1,3,5,7-tetratert-butylcycloocta-1,3,5,7-tetraene (CID 10903585) is (1E,3E,5E,7E)-1,3,5,7-tetratert-butylcycloocta-1,3,5,7-tetraene.
What is the SMILES notation for (1E,3E,5E,7E)-1,3,5,7-tetratert-butylcycloocta-1,3,5,7-tetraene?
The canonical SMILES for (1E,3E,5E,7E)-1,3,5,7-tetratert-butylcycloocta-1,3,5,7-tetraene is CC(C)(C)C1=C/C(C(C)(C)C)=C\C(C(C)(C)C)=C/C(C(C)(C)C)=C\1.
What is the InChIKey of (1E,3E,5E,7E)-1,3,5,7-tetratert-butylcycloocta-1,3,5,7-tetraene?
The InChIKey is MZOKJNWVASRQSV-VJKWWKQNSA-N. The full InChI is InChI=1S/C24H40/c1-21(2,3)17-13-18(22(4,5)6)15-20(24(10,11)12)16-19(14-17)23(7,8)9/h13-16H,1-12H3/b17-13+,17-14+,18-13+,18-15+,19-14+,19-16+,20-15+,20-16+.
What are the key properties of (1E,3E,5E,7E)-1,3,5,7-tetratert-butylcycloocta-1,3,5,7-tetraene?
(1E,3E,5E,7E)-1,3,5,7-tetratert-butylcycloocta-1,3,5,7-tetraene has a molecular weight of 328.58 g/mol, XLogP of 7.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E,7E)-1,3,5,7-tetratert-butylcycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 10903585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).