2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene

C16H22 — CID 173281402

IUPAC2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene
SMILESCCCC(C1=CCCC=C1)C1=CCCC=C1
InChIInChI=1S/C16H22/c1-2-9-16(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h5,7,10-13,16H,2-4,6,8-9H2,1H3
InChIKeyUNZJATHZEYAIDR-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.96
Rot. Bonds4

About 2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene

2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene (PubChem CID 173281402) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene
PubChem CID173281402
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene
SMILESCCCC(C1=CCCC=C1)C1=CCCC=C1
InChIInChI=1S/C16H22/c1-2-9-16(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h5,7,10-13,16H,2-4,6,8-9H2,1H3
InChIKeyUNZJATHZEYAIDR-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane
CID 156726896
2-(3-methylbutan-2-yl)cyclohexa-1,3-diene
CID 143730073
(1R)-1-cyclohexa-1,5-dien-1-ylethanol
CID 101132775
1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol
CID 89296934
1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol
CID 173132142
2-cyclohexa-1,5-dien-1-ylbutanoic acid;ethane;ethene;fluoromethane
CID 144558803
(1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
CID 145106210
1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
CID 142152612
2-chloro-2-cyclohexa-1,5-dien-1-yl-N,N-dimethylethanamine
CID 170023943
(2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid
CID 57236627
3-amino-2-cyclohexa-1,5-dien-1-ylpropanoic acid
CID 123359792
2-(1-cyclohexa-2,4-dien-1-ylpropyl)cyclohexa-1,3-diene
CID 143260286

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene?
The IUPAC name of 2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene (CID 173281402) is 2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene is CCCC(C1=CCCC=C1)C1=CCCC=C1.
What is the InChIKey of 2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene?
The InChIKey is UNZJATHZEYAIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-2-9-16(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h5,7,10-13,16H,2-4,6,8-9H2,1H3.
What are the key properties of 2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene?
2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene has a molecular weight of 214.35 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene is sourced from PubChem (CID 173281402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).