butyl methyl phosphite

C5H12O3P- — CID 21328235

IUPACbutyl methyl phosphite
SMILESCCCCOP([O-])OC
InChIInChI=1S/C5H12O3P/c1-3-4-5-8-9(6)7-2/h3-5H2,1-2H3/q-1
InChIKeyNCRZRSMQTAHXLD-UHFFFAOYSA-N
MW151.12 g/mol
LogP1.04
Rot. Bonds5

About butyl methyl phosphite

butyl methyl phosphite (PubChem CID 21328235) has the molecular formula C5H12O3P- and a molecular weight of 151.12 g/mol. Its IUPAC name is butyl methyl phosphite.

Molecular Properties

Compound Namebutyl methyl phosphite
PubChem CID21328235
Molecular FormulaC5H12O3P-
Molecular Weight151.12 g/mol
Exact Mass151.05
IUPAC Namebutyl methyl phosphite
SMILESCCCCOP([O-])OC
InChIInChI=1S/C5H12O3P/c1-3-4-5-8-9(6)7-2/h3-5H2,1-2H3/q-1
InChIKeyNCRZRSMQTAHXLD-UHFFFAOYSA-N
XLogP1.04
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium dioctyl phosphite
CID 174541245
tetrakis(ditridecyl phosphite);titanium(4+)
CID 160640114
sodium didodecyl phosphite
CID 23710886
butyl prop-1-ynyl phosphite
CID 23341763
tetrakis(dibutyl hydrogen phosphite);silane
CID 175328252
tris(dipropyl phosphite);indium(3+)
CID 23460130
disodium;hexyl phosphite
CID 139691830
dibutoxy(fluoro)phosphane
CID 15373704
dibutoxy(chloro)phosphane
CID 4231195
dibutyl hydrogen phosphite;phosphorous acid
CID 88648426
chlororuthenium;tris(tributyl phosphite)
CID 173315437
hexyl methyl hydrogen phosphite
CID 22731198

Frequently Asked Questions

What is the IUPAC name of butyl methyl phosphite?
The IUPAC name of butyl methyl phosphite (CID 21328235) is butyl methyl phosphite.
What is the SMILES notation for butyl methyl phosphite?
The canonical SMILES for butyl methyl phosphite is CCCCOP([O-])OC.
What is the InChIKey of butyl methyl phosphite?
The InChIKey is NCRZRSMQTAHXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3P/c1-3-4-5-8-9(6)7-2/h3-5H2,1-2H3/q-1.
What are the key properties of butyl methyl phosphite?
butyl methyl phosphite has a molecular weight of 151.12 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl methyl phosphite is sourced from PubChem (CID 21328235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).