benzylphosphinite;butane

C11H18OP- — CID 20529876

IUPACbenzylphosphinite;butane
SMILESCCCC.[O-]PCc1ccccc1
InChIInChI=1S/C7H8OP.C4H10/c8-9-6-7-4-2-1-3-5-7;1-3-4-2/h1-5,9H,6H2;3-4H2,1-2H3/q-1;
InChIKeyRSNABJLDUWMCBN-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.95
Rot. Bonds3

About benzylphosphinite;butane

benzylphosphinite;butane (PubChem CID 20529876) has the molecular formula C11H18OP- and a molecular weight of 197.24 g/mol. Its IUPAC name is benzylphosphinite;butane.

Molecular Properties

Compound Namebenzylphosphinite;butane
PubChem CID20529876
Molecular FormulaC11H18OP-
Molecular Weight197.24 g/mol
Exact Mass197.11
IUPAC Namebenzylphosphinite;butane
SMILESCCCC.[O-]PCc1ccccc1
InChIInChI=1S/C7H8OP.C4H10/c8-9-6-7-4-2-1-3-5-7;1-3-4-2/h1-5,9H,6H2;3-4H2,1-2H3/q-1;
InChIKeyRSNABJLDUWMCBN-UHFFFAOYSA-N
XLogP2.95
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzyl(propyl)phosphane
CID 69425003
potassium;hydride;propylbenzene
CID 174749122
benzyl(pentadecyl)phosphane
CID 174798233
benzyl(bromo)phosphane;bromophosphane
CID 139821861
benzyl(pentadecyl)phosphane;hydrobromide
CID 174798232
ethylcyclodecapentaene
CID 90861705
propylbenzene;hydrobromide
CID 70024036
butane;triphenylphosphane
CID 161447439
propylbenzene tetraiodide
CID 23321652
N-benzylphosphanylmethanamine
CID 5035277
butane;fluoroethane;fluoromethane;fluoromethylbenzene
CID 123939786
ethane;ethylbenzene
CID 90887003

Frequently Asked Questions

What is the IUPAC name of benzylphosphinite;butane?
The IUPAC name of benzylphosphinite;butane (CID 20529876) is benzylphosphinite;butane.
What is the SMILES notation for benzylphosphinite;butane?
The canonical SMILES for benzylphosphinite;butane is CCCC.[O-]PCc1ccccc1.
What is the InChIKey of benzylphosphinite;butane?
The InChIKey is RSNABJLDUWMCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OP.C4H10/c8-9-6-7-4-2-1-3-5-7;1-3-4-2/h1-5,9H,6H2;3-4H2,1-2H3/q-1;.
What are the key properties of benzylphosphinite;butane?
benzylphosphinite;butane has a molecular weight of 197.24 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylphosphinite;butane is sourced from PubChem (CID 20529876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).