3,3-dimethylbutyl phosphite

C6H13O3P-2 — CID 21251795

IUPAC3,3-dimethylbutyl phosphite
SMILESCC(C)(C)CCOP([O-])[O-]
InChIInChI=1S/C6H13O3P/c1-6(2,3)4-5-9-10(7)8/h4-5H2,1-3H3/q-2
InChIKeyDPEMBYLTMZOJSZ-UHFFFAOYSA-N
MW164.14 g/mol
LogP0.39
Rot. Bonds3

About 3,3-dimethylbutyl phosphite

3,3-dimethylbutyl phosphite (PubChem CID 21251795) has the molecular formula C6H13O3P-2 and a molecular weight of 164.14 g/mol. Its IUPAC name is 3,3-dimethylbutyl phosphite.

Molecular Properties

Compound Name3,3-dimethylbutyl phosphite
PubChem CID21251795
Molecular FormulaC6H13O3P-2
Molecular Weight164.14 g/mol
Exact Mass164.06
IUPAC Name3,3-dimethylbutyl phosphite
SMILESCC(C)(C)CCOP([O-])[O-]
InChIInChI=1S/C6H13O3P/c1-6(2,3)4-5-9-10(7)8/h4-5H2,1-3H3/q-2
InChIKeyDPEMBYLTMZOJSZ-UHFFFAOYSA-N
XLogP0.39
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutyl phosphite?
The IUPAC name of 3,3-dimethylbutyl phosphite (CID 21251795) is 3,3-dimethylbutyl phosphite.
What is the SMILES notation for 3,3-dimethylbutyl phosphite?
The canonical SMILES for 3,3-dimethylbutyl phosphite is CC(C)(C)CCOP([O-])[O-].
What is the InChIKey of 3,3-dimethylbutyl phosphite?
The InChIKey is DPEMBYLTMZOJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3P/c1-6(2,3)4-5-9-10(7)8/h4-5H2,1-3H3/q-2.
What are the key properties of 3,3-dimethylbutyl phosphite?
3,3-dimethylbutyl phosphite has a molecular weight of 164.14 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutyl phosphite is sourced from PubChem (CID 21251795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).