6,6-dichloro-1,3-dimethyl-3λ5-phosphabicyclo[3.1.0]hexane 3-oxide

C7H11Cl2OP — CID 14117903

IUPAC6,6-dichloro-1,3-dimethyl-3λ5-phosphabicyclo[3.1.0]hexane 3-oxide
SMILESCC12CP(C)(=O)CC1C2(Cl)Cl
InChIInChI=1S/C7H11Cl2OP/c1-6-4-11(2,10)3-5(6)7(6,8)9/h5H,3-4H2,1-2H3
InChIKeyRLCKEOKDLFGREO-UHFFFAOYSA-N
MW213.04 g/mol
LogP2.80
Rot. Bonds

About 6,6-dichloro-1,3-dimethyl-3λ5-phosphabicyclo[3.1.0]hexane 3-oxide

6,6-dichloro-1,3-dimethyl-3λ5-phosphabicyclo[3.1.0]hexane 3-oxide (PubChem CID 14117903) has the molecular formula C7H11Cl2OP and a molecular weight of 213.04 g/mol. Its IUPAC name is 6,6-dichloro-1,3-dimethyl-3λ5-phosphabicyclo[3.1.0]hexane 3-oxide.

Molecular Properties

Compound Name6,6-dichloro-1,3-dimethyl-3λ5-phosphabicyclo[3.1.0]hexane 3-oxide
PubChem CID14117903
Molecular FormulaC7H11Cl2OP
Molecular Weight213.04 g/mol
Exact Mass211.99
IUPAC Name6,6-dichloro-1,3-dimethyl-3λ5-phosphabicyclo[3.1.0]hexane 3-oxide
SMILESCC12CP(C)(=O)CC1C2(Cl)Cl
InChIInChI=1S/C7H11Cl2OP/c1-6-4-11(2,10)3-5(6)7(6,8)9/h5H,3-4H2,1-2H3
InChIKeyRLCKEOKDLFGREO-UHFFFAOYSA-N
XLogP2.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-dichloro-1,3-dimethyl-3λ5-phosphabicyclo[3.1.0]hexane 3-oxide?
The IUPAC name of 6,6-dichloro-1,3-dimethyl-3λ5-phosphabicyclo[3.1.0]hexane 3-oxide (CID 14117903) is 6,6-dichloro-1,3-dimethyl-3λ5-phosphabicyclo[3.1.0]hexane 3-oxide.
What is the SMILES notation for 6,6-dichloro-1,3-dimethyl-3λ5-phosphabicyclo[3.1.0]hexane 3-oxide?
The canonical SMILES for 6,6-dichloro-1,3-dimethyl-3λ5-phosphabicyclo[3.1.0]hexane 3-oxide is CC12CP(C)(=O)CC1C2(Cl)Cl.
What is the InChIKey of 6,6-dichloro-1,3-dimethyl-3λ5-phosphabicyclo[3.1.0]hexane 3-oxide?
The InChIKey is RLCKEOKDLFGREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl2OP/c1-6-4-11(2,10)3-5(6)7(6,8)9/h5H,3-4H2,1-2H3.
What are the key properties of 6,6-dichloro-1,3-dimethyl-3λ5-phosphabicyclo[3.1.0]hexane 3-oxide?
6,6-dichloro-1,3-dimethyl-3λ5-phosphabicyclo[3.1.0]hexane 3-oxide has a molecular weight of 213.04 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dichloro-1,3-dimethyl-3λ5-phosphabicyclo[3.1.0]hexane 3-oxide is sourced from PubChem (CID 14117903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).