1-chloro-2-propylcyclohexa-1,3-diene

C9H13Cl — CID 19775360

IUPAC1-chloro-2-propylcyclohexa-1,3-diene
SMILESCCCC1=C(Cl)CCC=C1
InChIInChI=1S/C9H13Cl/c1-2-5-8-6-3-4-7-9(8)10/h3,6H,2,4-5,7H2,1H3
InChIKeyZPCWTTDRDFOIMT-UHFFFAOYSA-N
MW156.66 g/mol
LogP3.63
Rot. Bonds2

About 1-chloro-2-propylcyclohexa-1,3-diene

1-chloro-2-propylcyclohexa-1,3-diene (PubChem CID 19775360) has the molecular formula C9H13Cl and a molecular weight of 156.66 g/mol. Its IUPAC name is 1-chloro-2-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-chloro-2-propylcyclohexa-1,3-diene
PubChem CID19775360
Molecular FormulaC9H13Cl
Molecular Weight156.66 g/mol
Exact Mass156.07
IUPAC Name1-chloro-2-propylcyclohexa-1,3-diene
SMILESCCCC1=C(Cl)CCC=C1
InChIInChI=1S/C9H13Cl/c1-2-5-8-6-3-4-7-9(8)10/h3,6H,2,4-5,7H2,1H3
InChIKeyZPCWTTDRDFOIMT-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.66
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-propylcyclohexa-1,3-diene?
The IUPAC name of 1-chloro-2-propylcyclohexa-1,3-diene (CID 19775360) is 1-chloro-2-propylcyclohexa-1,3-diene.
What is the SMILES notation for 1-chloro-2-propylcyclohexa-1,3-diene?
The canonical SMILES for 1-chloro-2-propylcyclohexa-1,3-diene is CCCC1=C(Cl)CCC=C1.
What is the InChIKey of 1-chloro-2-propylcyclohexa-1,3-diene?
The InChIKey is ZPCWTTDRDFOIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl/c1-2-5-8-6-3-4-7-9(8)10/h3,6H,2,4-5,7H2,1H3.
What are the key properties of 1-chloro-2-propylcyclohexa-1,3-diene?
1-chloro-2-propylcyclohexa-1,3-diene has a molecular weight of 156.66 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-propylcyclohexa-1,3-diene is sourced from PubChem (CID 19775360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).