(1E,3E,5Z,7Z)-1,3-ditert-butylcycloocta-1,3,5,7-tetraene

C16H24 — CID 12502275

IUPAC(1E,3E,5Z,7Z)-1,3-ditert-butylcycloocta-1,3,5,7-tetraene
SMILESCC(C)(C)C1=C/C(C(C)(C)C)=C\C=C/C=C\1
InChIInChI=1S/C16H24/c1-15(2,3)13-10-8-7-9-11-14(12-13)16(4,5)6/h7-12H,1-6H3/b8-7-,9-7-,10-8-,11-9-,13-10+,13-12+,14-11+,14-12+
InChIKeyRSCBOFFMFWKJQS-RIQKGKCOSA-N
MW216.37 g/mol
LogP5.06
Rot. Bonds

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

(1E,3E,5Z,7Z)-1,3-ditert-butylcycloocta-1,3,5,7-tetraene (PubChem CID 12502275) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is (1E,3E,5Z,7Z)-1,3-ditert-butylcycloocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(1E,3E,5Z,7Z)-1,3-ditert-butylcycloocta-1,3,5,7-tetraene
PubChem CID12502275
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name(1E,3E,5Z,7Z)-1,3-ditert-butylcycloocta-1,3,5,7-tetraene
SMILESCC(C)(C)C1=C/C(C(C)(C)C)=C\C=C/C=C\1
InChIInChI=1S/C16H24/c1-15(2,3)13-10-8-7-9-11-14(12-13)16(4,5)6/h7-12H,1-6H3/b8-7-,9-7-,10-8-,11-9-,13-10+,13-12+,14-11+,14-12+
InChIKeyRSCBOFFMFWKJQS-RIQKGKCOSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

beta-Pyronene
CID 228342
Pentamethylcyclopentadiene
CID 142539
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Flexibilene
CID 134767510
(1E,4e,8e,12e)-2,6,6,9,13-pentamethyl-1,4,8,12-cyclopentadecatetraene
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1,5,5-Trimethylcyclopentadiene
CID 138162
1,3-Pentadiene, 2,4-di-t-butyl-
CID 5370147
Di-tert-butylcyclopentadiene
CID 3599405
Hafnium 2-tert-butylcyclopenta-1,3-dien-1-ide methanide (1/2/2)
CID 73988869
(1E,3Z,6E,10E)-6,10-dimethyl-14-methylidene-3-propan-2-ylcyclotetradeca-1,3,6,10-tetraene
CID 14336537
6,8-Diethyl-4-methyl-3E,5E,7E,9E-dodecatetraene
CID 56936068
2,6,6,9,13-Pentamethylcyclopentadeca-1,4,8,12-tetraene
CID 328948

Frequently Asked Questions

What is the IUPAC name of (1E,3E,5Z,7Z)-1,3-ditert-butylcycloocta-1,3,5,7-tetraene?
The IUPAC name of (1E,3E,5Z,7Z)-1,3-ditert-butylcycloocta-1,3,5,7-tetraene (CID 12502275) is (1E,3E,5Z,7Z)-1,3-ditert-butylcycloocta-1,3,5,7-tetraene.
What is the SMILES notation for (1E,3E,5Z,7Z)-1,3-ditert-butylcycloocta-1,3,5,7-tetraene?
The canonical SMILES for (1E,3E,5Z,7Z)-1,3-ditert-butylcycloocta-1,3,5,7-tetraene is CC(C)(C)C1=C/C(C(C)(C)C)=C\C=C/C=C\1.
What is the InChIKey of (1E,3E,5Z,7Z)-1,3-ditert-butylcycloocta-1,3,5,7-tetraene?
The InChIKey is RSCBOFFMFWKJQS-RIQKGKCOSA-N. The full InChI is InChI=1S/C16H24/c1-15(2,3)13-10-8-7-9-11-14(12-13)16(4,5)6/h7-12H,1-6H3/b8-7-,9-7-,10-8-,11-9-,13-10+,13-12+,14-11+,14-12+.
What are the key properties of (1E,3E,5Z,7Z)-1,3-ditert-butylcycloocta-1,3,5,7-tetraene?
(1E,3E,5Z,7Z)-1,3-ditert-butylcycloocta-1,3,5,7-tetraene has a molecular weight of 216.37 g/mol, XLogP of 5.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5Z,7Z)-1,3-ditert-butylcycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 12502275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).