4,4-dimethyl-1,3,2-oxathiaphospholane

C4H9OPS — CID 57182326

IUPAC4,4-dimethyl-1,3,2-oxathiaphospholane
SMILESCC1(C)COPS1
InChIInChI=1S/C4H9OPS/c1-4(2)3-5-6-7-4/h6H,3H2,1-2H3
InChIKeyJNSSLQRBVQKZRH-UHFFFAOYSA-N
MW136.16 g/mol
LogP2.04
Rot. Bonds

About 4,4-dimethyl-1,3,2-oxathiaphospholane

4,4-dimethyl-1,3,2-oxathiaphospholane (PubChem CID 57182326) has the molecular formula C4H9OPS and a molecular weight of 136.16 g/mol. Its IUPAC name is 4,4-dimethyl-1,3,2-oxathiaphospholane.

Molecular Properties

Compound Name4,4-dimethyl-1,3,2-oxathiaphospholane
PubChem CID57182326
Molecular FormulaC4H9OPS
Molecular Weight136.16 g/mol
Exact Mass136.01
IUPAC Name4,4-dimethyl-1,3,2-oxathiaphospholane
SMILESCC1(C)COPS1
InChIInChI=1S/C4H9OPS/c1-4(2)3-5-6-7-4/h6H,3H2,1-2H3
InChIKeyJNSSLQRBVQKZRH-UHFFFAOYSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,3,2-oxathiaphospholane?
The IUPAC name of 4,4-dimethyl-1,3,2-oxathiaphospholane (CID 57182326) is 4,4-dimethyl-1,3,2-oxathiaphospholane.
What is the SMILES notation for 4,4-dimethyl-1,3,2-oxathiaphospholane?
The canonical SMILES for 4,4-dimethyl-1,3,2-oxathiaphospholane is CC1(C)COPS1.
What is the InChIKey of 4,4-dimethyl-1,3,2-oxathiaphospholane?
The InChIKey is JNSSLQRBVQKZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9OPS/c1-4(2)3-5-6-7-4/h6H,3H2,1-2H3.
What are the key properties of 4,4-dimethyl-1,3,2-oxathiaphospholane?
4,4-dimethyl-1,3,2-oxathiaphospholane has a molecular weight of 136.16 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,3,2-oxathiaphospholane is sourced from PubChem (CID 57182326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).