2-chloro-6-methylcyclohexa-1,3-diene

C7H9Cl — CID 12828163

IUPAC2-chloro-6-methylcyclohexa-1,3-diene
SMILESCC1C=C(Cl)C=CC1
InChIInChI=1S/C7H9Cl/c1-6-3-2-4-7(8)5-6/h2,4-6H,3H2,1H3
InChIKeyKRSMQYYQHUYHCN-UHFFFAOYSA-N
MW128.60 g/mol
LogP2.71
Rot. Bonds

About 2-chloro-6-methylcyclohexa-1,3-diene

2-chloro-6-methylcyclohexa-1,3-diene (PubChem CID 12828163) has the molecular formula C7H9Cl and a molecular weight of 128.60 g/mol. Its IUPAC name is 2-chloro-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-chloro-6-methylcyclohexa-1,3-diene
PubChem CID12828163
Molecular FormulaC7H9Cl
Molecular Weight128.60 g/mol
Exact Mass128.04
IUPAC Name2-chloro-6-methylcyclohexa-1,3-diene
SMILESCC1C=C(Cl)C=CC1
InChIInChI=1S/C7H9Cl/c1-6-3-2-4-7(8)5-6/h2,4-6H,3H2,1H3
InChIKeyKRSMQYYQHUYHCN-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.60
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylcyclohexa-1,3-diene?
The IUPAC name of 2-chloro-6-methylcyclohexa-1,3-diene (CID 12828163) is 2-chloro-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-chloro-6-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-chloro-6-methylcyclohexa-1,3-diene is CC1C=C(Cl)C=CC1.
What is the InChIKey of 2-chloro-6-methylcyclohexa-1,3-diene?
The InChIKey is KRSMQYYQHUYHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl/c1-6-3-2-4-7(8)5-6/h2,4-6H,3H2,1H3.
What are the key properties of 2-chloro-6-methylcyclohexa-1,3-diene?
2-chloro-6-methylcyclohexa-1,3-diene has a molecular weight of 128.60 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 12828163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).