1-butyl-2-cyclohexa-1,5-dien-1-ylbenzene

C16H20 — CID 173142275

IUPAC1-butyl-2-cyclohexa-1,5-dien-1-ylbenzene
SMILESCCCCc1ccccc1C1=CCCC=C1
InChIInChI=1S/C16H20/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15/h5,7-8,10-13H,2-4,6,9H2,1H3
InChIKeyWHUJRHUBEKLLRP-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.76
Rot. Bonds4

About 1-butyl-2-cyclohexa-1,5-dien-1-ylbenzene

1-butyl-2-cyclohexa-1,5-dien-1-ylbenzene (PubChem CID 173142275) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-butyl-2-cyclohexa-1,5-dien-1-ylbenzene.

Molecular Properties

Compound Name1-butyl-2-cyclohexa-1,5-dien-1-ylbenzene
PubChem CID173142275
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-butyl-2-cyclohexa-1,5-dien-1-ylbenzene
SMILESCCCCc1ccccc1C1=CCCC=C1
InChIInChI=1S/C16H20/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15/h5,7-8,10-13H,2-4,6,9H2,1H3
InChIKeyWHUJRHUBEKLLRP-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 173139810
CID 173139810
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CID 159940559
CID 173400823
CID 173400823
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
2-(3-butyl-2-cyclohexa-1,5-dien-1-yl-4-pyridinyl)acetonitrile
CID 142148435
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
1-butyl-2-(3-butylphenyl)benzene
CID 142022154
gold;1-pentyl-2-phenylbenzene
CID 174945702
2-(2-pentylphenyl)phenol
CID 66866892
2-(2-butylphenyl)pyridine
CID 11977286
5-(2-butylphenyl)-1H-pyrazole
CID 76541456
(2E)-N-[(2-cyclohexa-1,5-dien-1-ylphenyl)methyl]-2-ethenylpenta-2,4-dien-1-amine
CID 143436432

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-cyclohexa-1,5-dien-1-ylbenzene?
The IUPAC name of 1-butyl-2-cyclohexa-1,5-dien-1-ylbenzene (CID 173142275) is 1-butyl-2-cyclohexa-1,5-dien-1-ylbenzene.
What is the SMILES notation for 1-butyl-2-cyclohexa-1,5-dien-1-ylbenzene?
The canonical SMILES for 1-butyl-2-cyclohexa-1,5-dien-1-ylbenzene is CCCCc1ccccc1C1=CCCC=C1.
What is the InChIKey of 1-butyl-2-cyclohexa-1,5-dien-1-ylbenzene?
The InChIKey is WHUJRHUBEKLLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15/h5,7-8,10-13H,2-4,6,9H2,1H3.
What are the key properties of 1-butyl-2-cyclohexa-1,5-dien-1-ylbenzene?
1-butyl-2-cyclohexa-1,5-dien-1-ylbenzene has a molecular weight of 212.34 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-cyclohexa-1,5-dien-1-ylbenzene is sourced from PubChem (CID 173142275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).