1,3-dichloro-2-propylcyclohexa-1,3-diene

C9H12Cl2 — CID 19775355

IUPAC1,3-dichloro-2-propylcyclohexa-1,3-diene
SMILESCCCC1=C(Cl)CCC=C1Cl
InChIInChI=1S/C9H12Cl2/c1-2-4-7-8(10)5-3-6-9(7)11/h5H,2-4,6H2,1H3
InChIKeyNYWARGZEUBKJKI-UHFFFAOYSA-N
MW191.10 g/mol
LogP4.20
Rot. Bonds2

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

1,3-dichloro-2-propylcyclohexa-1,3-diene (PubChem CID 19775355) has the molecular formula C9H12Cl2 and a molecular weight of 191.10 g/mol. Its IUPAC name is 1,3-dichloro-2-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,3-dichloro-2-propylcyclohexa-1,3-diene
PubChem CID19775355
Molecular FormulaC9H12Cl2
Molecular Weight191.10 g/mol
Exact Mass190.03
IUPAC Name1,3-dichloro-2-propylcyclohexa-1,3-diene
SMILESCCCC1=C(Cl)CCC=C1Cl
InChIInChI=1S/C9H12Cl2/c1-2-4-7-8(10)5-3-6-9(7)11/h5H,2-4,6H2,1H3
InChIKeyNYWARGZEUBKJKI-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.10
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-propylcyclohexa-1,3-diene?
The IUPAC name of 1,3-dichloro-2-propylcyclohexa-1,3-diene (CID 19775355) is 1,3-dichloro-2-propylcyclohexa-1,3-diene.
What is the SMILES notation for 1,3-dichloro-2-propylcyclohexa-1,3-diene?
The canonical SMILES for 1,3-dichloro-2-propylcyclohexa-1,3-diene is CCCC1=C(Cl)CCC=C1Cl.
What is the InChIKey of 1,3-dichloro-2-propylcyclohexa-1,3-diene?
The InChIKey is NYWARGZEUBKJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2/c1-2-4-7-8(10)5-3-6-9(7)11/h5H,2-4,6H2,1H3.
What are the key properties of 1,3-dichloro-2-propylcyclohexa-1,3-diene?
1,3-dichloro-2-propylcyclohexa-1,3-diene has a molecular weight of 191.10 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-propylcyclohexa-1,3-diene is sourced from PubChem (CID 19775355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).