butyl prop-1-ynyl phosphite

C7H12O3P- — CID 23341763

IUPACbutyl prop-1-ynyl phosphite
SMILESCC#COP([O-])OCCCC
InChIInChI=1S/C7H12O3P/c1-3-5-7-10-11(8)9-6-4-2/h3,5,7H2,1-2H3/q-1
InChIKeyWTPQLIOEMCSUHW-UHFFFAOYSA-N
MW175.14 g/mol
LogP1.39
Rot. Bonds5

About butyl prop-1-ynyl phosphite

butyl prop-1-ynyl phosphite (PubChem CID 23341763) has the molecular formula C7H12O3P- and a molecular weight of 175.14 g/mol. Its IUPAC name is butyl prop-1-ynyl phosphite.

Molecular Properties

Compound Namebutyl prop-1-ynyl phosphite
PubChem CID23341763
Molecular FormulaC7H12O3P-
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Namebutyl prop-1-ynyl phosphite
SMILESCC#COP([O-])OCCCC
InChIInChI=1S/C7H12O3P/c1-3-5-7-10-11(8)9-6-4-2/h3,5,7H2,1-2H3/q-1
InChIKeyWTPQLIOEMCSUHW-UHFFFAOYSA-N
XLogP1.39
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 51.39
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

butyl methyl phosphite
CID 21328235
lithium dioctyl phosphite
CID 174541245
tetrakis(ditridecyl phosphite);titanium(4+)
CID 160640114
sodium didodecyl phosphite
CID 23710886
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
tetrakis(dibutyl hydrogen phosphite);silane
CID 175328252
chlororuthenium;tris(tributyl phosphite)
CID 173315437
barium(2+);2-butoxyethyl phosphite
CID 88780891

Frequently Asked Questions

What is the IUPAC name of butyl prop-1-ynyl phosphite?
The IUPAC name of butyl prop-1-ynyl phosphite (CID 23341763) is butyl prop-1-ynyl phosphite.
What is the SMILES notation for butyl prop-1-ynyl phosphite?
The canonical SMILES for butyl prop-1-ynyl phosphite is CC#COP([O-])OCCCC.
What is the InChIKey of butyl prop-1-ynyl phosphite?
The InChIKey is WTPQLIOEMCSUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3P/c1-3-5-7-10-11(8)9-6-4-2/h3,5,7H2,1-2H3/q-1.
What are the key properties of butyl prop-1-ynyl phosphite?
butyl prop-1-ynyl phosphite has a molecular weight of 175.14 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl prop-1-ynyl phosphite is sourced from PubChem (CID 23341763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).