2-cycloocta-1,3-dien-1-yl-1-cycloocta-1,3,5-trien-1-yl-3-(cycloocten-1-yl)cycloocta-1,3,5,7-tetraene

C32H38 — CID 91348685

IUPAC2-cycloocta-1,3-dien-1-yl-1-cycloocta-1,3,5-trien-1-yl-3-(cycloocten-1-yl)cycloocta-1,3,5,7-tetraene
SMILESC1=CC=C(C2=C(C3=CC=CCCCC3)C(C3=CCCCCCC3)=CC=CC=C2)CCC=C1
InChIInChI=1S/C32H38/c1-4-11-19-27(20-12-5-1)30-25-17-10-18-26-31(28-21-13-6-2-7-14-22-28)32(30)29-23-15-8-3-9-16-24-29/h1,4-5,8,10-11,15,17-19,21,23,25-26H,2-3,6-7,9,12-14,16,20,22,24H2
InChIKeyRKGRKYFACAEBMV-UHFFFAOYSA-N
MW422.66 g/mol
LogP9.51
Rot. Bonds3

About 2-cycloocta-1,3-dien-1-yl-1-cycloocta-1,3,5-trien-1-yl-3-(cycloocten-1-yl)cycloocta-1,3,5,7-tetraene

2-cycloocta-1,3-dien-1-yl-1-cycloocta-1,3,5-trien-1-yl-3-(cycloocten-1-yl)cycloocta-1,3,5,7-tetraene (PubChem CID 91348685) has the molecular formula C32H38 and a molecular weight of 422.66 g/mol. Its IUPAC name is 2-cycloocta-1,3-dien-1-yl-1-cycloocta-1,3,5-trien-1-yl-3-(cycloocten-1-yl)cycloocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name2-cycloocta-1,3-dien-1-yl-1-cycloocta-1,3,5-trien-1-yl-3-(cycloocten-1-yl)cycloocta-1,3,5,7-tetraene
PubChem CID91348685
Molecular FormulaC32H38
Molecular Weight422.66 g/mol
Exact Mass422.30
IUPAC Name2-cycloocta-1,3-dien-1-yl-1-cycloocta-1,3,5-trien-1-yl-3-(cycloocten-1-yl)cycloocta-1,3,5,7-tetraene
SMILESC1=CC=C(C2=C(C3=CC=CCCCC3)C(C3=CCCCCCC3)=CC=CC=C2)CCC=C1
InChIInChI=1S/C32H38/c1-4-11-19-27(20-12-5-1)30-25-17-10-18-26-31(28-21-13-6-2-7-14-22-28)32(30)29-23-15-8-3-9-16-24-29/h1,4-5,8,10-11,15,17-19,21,23,25-26H,2-3,6-7,9,12-14,16,20,22,24H2
InChIKeyRKGRKYFACAEBMV-UHFFFAOYSA-N
XLogP9.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.66
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-cycloocta-1,3-dien-1-yl-1-cycloocta-1,3,5-trien-1-yl-3-(cycloocten-1-yl)cycloocta-1,3,5,7-tetraene?
The IUPAC name of 2-cycloocta-1,3-dien-1-yl-1-cycloocta-1,3,5-trien-1-yl-3-(cycloocten-1-yl)cycloocta-1,3,5,7-tetraene (CID 91348685) is 2-cycloocta-1,3-dien-1-yl-1-cycloocta-1,3,5-trien-1-yl-3-(cycloocten-1-yl)cycloocta-1,3,5,7-tetraene.
What is the SMILES notation for 2-cycloocta-1,3-dien-1-yl-1-cycloocta-1,3,5-trien-1-yl-3-(cycloocten-1-yl)cycloocta-1,3,5,7-tetraene?
The canonical SMILES for 2-cycloocta-1,3-dien-1-yl-1-cycloocta-1,3,5-trien-1-yl-3-(cycloocten-1-yl)cycloocta-1,3,5,7-tetraene is C1=CC=C(C2=C(C3=CC=CCCCC3)C(C3=CCCCCCC3)=CC=CC=C2)CCC=C1.
What is the InChIKey of 2-cycloocta-1,3-dien-1-yl-1-cycloocta-1,3,5-trien-1-yl-3-(cycloocten-1-yl)cycloocta-1,3,5,7-tetraene?
The InChIKey is RKGRKYFACAEBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38/c1-4-11-19-27(20-12-5-1)30-25-17-10-18-26-31(28-21-13-6-2-7-14-22-28)32(30)29-23-15-8-3-9-16-24-29/h1,4-5,8,10-11,15,17-19,21,23,25-26H,2-3,6-7,9,12-14,16,20,22,24H2.
What are the key properties of 2-cycloocta-1,3-dien-1-yl-1-cycloocta-1,3,5-trien-1-yl-3-(cycloocten-1-yl)cycloocta-1,3,5,7-tetraene?
2-cycloocta-1,3-dien-1-yl-1-cycloocta-1,3,5-trien-1-yl-3-(cycloocten-1-yl)cycloocta-1,3,5,7-tetraene has a molecular weight of 422.66 g/mol, XLogP of 9.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloocta-1,3-dien-1-yl-1-cycloocta-1,3,5-trien-1-yl-3-(cycloocten-1-yl)cycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 91348685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).