5,5-dibutyl-2-(2-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

C24H38 — CID 175273562

IUPAC5,5-dibutyl-2-(2-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESCCCCC1=C(C2=CCC(CCCC)(CCCC)C=C2)CCC=C1
InChIInChI=1S/C24H38/c1-4-7-12-21-13-10-11-14-23(21)22-15-19-24(20-16-22,17-8-5-2)18-9-6-3/h10,13,15-16,19H,4-9,11-12,14,17-18,20H2,1-3H3
InChIKeyBHHXIDTWKXFFER-UHFFFAOYSA-N
MW326.57 g/mol
LogP8.08
Rot. Bonds10

About 5,5-dibutyl-2-(2-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

5,5-dibutyl-2-(2-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (PubChem CID 175273562) has the molecular formula C24H38 and a molecular weight of 326.57 g/mol. Its IUPAC name is 5,5-dibutyl-2-(2-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5-dibutyl-2-(2-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
PubChem CID175273562
Molecular FormulaC24H38
Molecular Weight326.57 g/mol
Exact Mass326.30
IUPAC Name5,5-dibutyl-2-(2-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESCCCCC1=C(C2=CCC(CCCC)(CCCC)C=C2)CCC=C1
InChIInChI=1S/C24H38/c1-4-7-12-21-13-10-11-14-23(21)22-15-19-24(20-16-22,17-8-5-2)18-9-6-3/h10,13,15-16,19H,4-9,11-12,14,17-18,20H2,1-3H3
InChIKeyBHHXIDTWKXFFER-UHFFFAOYSA-N
XLogP8.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,5-dibutyl-2-(2-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The IUPAC name of 5,5-dibutyl-2-(2-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (CID 175273562) is 5,5-dibutyl-2-(2-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 5,5-dibutyl-2-(2-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The canonical SMILES for 5,5-dibutyl-2-(2-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is CCCCC1=C(C2=CCC(CCCC)(CCCC)C=C2)CCC=C1.
What is the InChIKey of 5,5-dibutyl-2-(2-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The InChIKey is BHHXIDTWKXFFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38/c1-4-7-12-21-13-10-11-14-23(21)22-15-19-24(20-16-22,17-8-5-2)18-9-6-3/h10,13,15-16,19H,4-9,11-12,14,17-18,20H2,1-3H3.
What are the key properties of 5,5-dibutyl-2-(2-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
5,5-dibutyl-2-(2-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene has a molecular weight of 326.57 g/mol, XLogP of 8.08, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibutyl-2-(2-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 175273562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).