carbonic acid;4,4,4-triphenylbutylphosphane

C23H25O3P — CID 173313082

IUPACcarbonic acid;4,4,4-triphenylbutylphosphane
SMILESO=C(O)O.PCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23P.CH2O3/c23-18-10-17-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;2-1(3)4/h1-9,11-16H,10,17-18,23H2;(H2,2,3,4)
InChIKeyAWDNJKPBJZDUNT-UHFFFAOYSA-N
MW380.42 g/mol
LogP5.90
Rot. Bonds6

About carbonic acid;4,4,4-triphenylbutylphosphane

carbonic acid;4,4,4-triphenylbutylphosphane (PubChem CID 173313082) has the molecular formula C23H25O3P and a molecular weight of 380.42 g/mol. Its IUPAC name is carbonic acid;4,4,4-triphenylbutylphosphane.

Molecular Properties

Compound Namecarbonic acid;4,4,4-triphenylbutylphosphane
PubChem CID173313082
Molecular FormulaC23H25O3P
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Namecarbonic acid;4,4,4-triphenylbutylphosphane
SMILESO=C(O)O.PCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23P.CH2O3/c23-18-10-17-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;2-1(3)4/h1-9,11-16H,10,17-18,23H2;(H2,2,3,4)
InChIKeyAWDNJKPBJZDUNT-UHFFFAOYSA-N
XLogP5.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-triphenylpropylphosphane;hydrobromide
CID 118389375
phosphane;6,6,6-triphenylhexanoic acid
CID 175595654
CID 123237849
CID 123237849
13,13,13-triphenyltridecan-1-ol
CID 150406449
methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium
CID 162300033
4,4,4-triphenylbutanoyl chloride
CID 15254182
methylidene(8,8,8-triphenyloctanoyl)phosphanium
CID 154191945
10,10,10-triphenyldecylphosphanium bromide
CID 69307814
13,13,13-triphenyltridecylphosphanium bromide
CID 71354528
7,7,7-triphenylheptane-1-sulfonic acid
CID 151892419
10,10,10-triphenyldecylhydrazine
CID 150931504
4-[1-phenyl-1-(4-sulfanylphenyl)pentyl]benzenethiol
CID 156622039

Frequently Asked Questions

What is the IUPAC name of carbonic acid;4,4,4-triphenylbutylphosphane?
The IUPAC name of carbonic acid;4,4,4-triphenylbutylphosphane (CID 173313082) is carbonic acid;4,4,4-triphenylbutylphosphane.
What is the SMILES notation for carbonic acid;4,4,4-triphenylbutylphosphane?
The canonical SMILES for carbonic acid;4,4,4-triphenylbutylphosphane is O=C(O)O.PCCCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of carbonic acid;4,4,4-triphenylbutylphosphane?
The InChIKey is AWDNJKPBJZDUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23P.CH2O3/c23-18-10-17-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;2-1(3)4/h1-9,11-16H,10,17-18,23H2;(H2,2,3,4).
What are the key properties of carbonic acid;4,4,4-triphenylbutylphosphane?
carbonic acid;4,4,4-triphenylbutylphosphane has a molecular weight of 380.42 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;4,4,4-triphenylbutylphosphane is sourced from PubChem (CID 173313082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).