tripropan-2-yl phosphite

C9H21O3P — CID 8304

IUPACtripropan-2-yl phosphite
SMILESCC(C)OP(OC(C)C)OC(C)C
InChIInChI=1S/C9H21O3P/c1-7(2)10-13(11-8(3)4)12-9(5)6/h7-9H,1-6H3
InChIKeySJHCUXCOGGKFAI-UHFFFAOYSA-N
MW208.24 g/mol
LogP3.49
Rot. Bonds6

About tripropan-2-yl phosphite

tripropan-2-yl phosphite (PubChem CID 8304) has the molecular formula C9H21O3P and a molecular weight of 208.24 g/mol. Its IUPAC name is tripropan-2-yl phosphite.

Molecular Properties

Compound Nametripropan-2-yl phosphite
PubChem CID8304
Molecular FormulaC9H21O3P
Molecular Weight208.24 g/mol
Exact Mass208.12
IUPAC Nametripropan-2-yl phosphite
SMILESCC(C)OP(OC(C)C)OC(C)C
InChIInChI=1S/C9H21O3P/c1-7(2)10-13(11-8(3)4)12-9(5)6/h7-9H,1-6H3
InChIKeySJHCUXCOGGKFAI-UHFFFAOYSA-N
XLogP3.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tripropan-2-yl phosphite with MolForge

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

Launch Full Analysis

Related Compounds

Tributyl phosphite
CID 7623
Sodium di-sec-butyl phosphorodithioate
CID 23681170
Triisopropyl phosphate
CID 68188
Tetraisopropyl pyrophosphate
CID 79916
Tripropyl phosphite
CID 70210
Diisopropyl isopropylphosphonate
CID 15592904
Phosphoric acid tri-sec-butyl ester
CID 11482502
Phosphorothioic acid, S-butyl O,O-diethyl ester
CID 209696
Phosphorothioic acid, O,O-diethyl O-(1-methylethyl) ester
CID 3048039
Bis(1-methylpropyl) phosphorofluoridate
CID 102452
Pyrophosphoric acid, dimethyl diisopropyl ester
CID 115865
Disecbutyl dithiophosphate
CID 36561

Frequently Asked Questions

What is the IUPAC name of tripropan-2-yl phosphite?
The IUPAC name of tripropan-2-yl phosphite (CID 8304) is tripropan-2-yl phosphite.
What is the SMILES notation for tripropan-2-yl phosphite?
The canonical SMILES for tripropan-2-yl phosphite is CC(C)OP(OC(C)C)OC(C)C.
What is the InChIKey of tripropan-2-yl phosphite?
The InChIKey is SJHCUXCOGGKFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O3P/c1-7(2)10-13(11-8(3)4)12-9(5)6/h7-9H,1-6H3.
What are the key properties of tripropan-2-yl phosphite?
tripropan-2-yl phosphite has a molecular weight of 208.24 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tripropan-2-yl phosphite is sourced from PubChem (CID 8304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).