2-butyl-1-chlorocyclohexa-1,3-diene

C10H15Cl — CID 19775350

IUPAC2-butyl-1-chlorocyclohexa-1,3-diene
SMILESCCCCC1=C(Cl)CCC=C1
InChIInChI=1S/C10H15Cl/c1-2-3-6-9-7-4-5-8-10(9)11/h4,7H,2-3,5-6,8H2,1H3
InChIKeyCKKNTMRAXMUKFS-UHFFFAOYSA-N
MW170.68 g/mol
LogP4.02
Rot. Bonds3

About 2-butyl-1-chlorocyclohexa-1,3-diene

2-butyl-1-chlorocyclohexa-1,3-diene (PubChem CID 19775350) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 2-butyl-1-chlorocyclohexa-1,3-diene.

Molecular Properties

Compound Name2-butyl-1-chlorocyclohexa-1,3-diene
PubChem CID19775350
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name2-butyl-1-chlorocyclohexa-1,3-diene
SMILESCCCCC1=C(Cl)CCC=C1
InChIInChI=1S/C10H15Cl/c1-2-3-6-9-7-4-5-8-10(9)11/h4,7H,2-3,5-6,8H2,1H3
InChIKeyCKKNTMRAXMUKFS-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-chlorocyclohexa-1,3-diene?
The IUPAC name of 2-butyl-1-chlorocyclohexa-1,3-diene (CID 19775350) is 2-butyl-1-chlorocyclohexa-1,3-diene.
What is the SMILES notation for 2-butyl-1-chlorocyclohexa-1,3-diene?
The canonical SMILES for 2-butyl-1-chlorocyclohexa-1,3-diene is CCCCC1=C(Cl)CCC=C1.
What is the InChIKey of 2-butyl-1-chlorocyclohexa-1,3-diene?
The InChIKey is CKKNTMRAXMUKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl/c1-2-3-6-9-7-4-5-8-10(9)11/h4,7H,2-3,5-6,8H2,1H3.
What are the key properties of 2-butyl-1-chlorocyclohexa-1,3-diene?
2-butyl-1-chlorocyclohexa-1,3-diene has a molecular weight of 170.68 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-chlorocyclohexa-1,3-diene is sourced from PubChem (CID 19775350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).