2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide

C8H16ClO3P — CID 156787224

IUPAC2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide
SMILESCC1(C)CCCCOP(=O)(Cl)OC1
InChIInChI=1S/C8H16ClO3P/c1-8(2)5-3-4-6-11-13(9,10)12-7-8/h3-7H2,1-2H3
InChIKeyNTEJEXDUEVCRSF-UHFFFAOYSA-N
MW226.64 g/mol
LogP3.58
Rot. Bonds

About 2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide

2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide (PubChem CID 156787224) has the molecular formula C8H16ClO3P and a molecular weight of 226.64 g/mol. Its IUPAC name is 2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide.

Molecular Properties

Compound Name2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide
PubChem CID156787224
Molecular FormulaC8H16ClO3P
Molecular Weight226.64 g/mol
Exact Mass226.05
IUPAC Name2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide
SMILESCC1(C)CCCCOP(=O)(Cl)OC1
InChIInChI=1S/C8H16ClO3P/c1-8(2)5-3-4-6-11-13(9,10)12-7-8/h3-7H2,1-2H3
InChIKeyNTEJEXDUEVCRSF-UHFFFAOYSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide?
The IUPAC name of 2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide (CID 156787224) is 2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide.
What is the SMILES notation for 2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide?
The canonical SMILES for 2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide is CC1(C)CCCCOP(=O)(Cl)OC1.
What is the InChIKey of 2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide?
The InChIKey is NTEJEXDUEVCRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClO3P/c1-8(2)5-3-4-6-11-13(9,10)12-7-8/h3-7H2,1-2H3.
What are the key properties of 2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide?
2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide has a molecular weight of 226.64 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide is sourced from PubChem (CID 156787224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).