carbonic acid;trioctylphosphane

C25H53O3P — CID 174362126

IUPACcarbonic acid;trioctylphosphane
SMILESCCCCCCCCP(CCCCCCCC)CCCCCCCC.O=C(O)O
InChIInChI=1S/C24H51P.CH2O3/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;2-1(3)4/h4-24H2,1-3H3;(H2,2,3,4)
InChIKeyLKQWBZOJUXXYIA-UHFFFAOYSA-N
MW432.67 g/mol
LogP9.77
Rot. Bonds21

About carbonic acid;trioctylphosphane

carbonic acid;trioctylphosphane (PubChem CID 174362126) has the molecular formula C25H53O3P and a molecular weight of 432.67 g/mol. Its IUPAC name is carbonic acid;trioctylphosphane.

Molecular Properties

Compound Namecarbonic acid;trioctylphosphane
PubChem CID174362126
Molecular FormulaC25H53O3P
Molecular Weight432.67 g/mol
Exact Mass432.37
IUPAC Namecarbonic acid;trioctylphosphane
SMILESCCCCCCCCP(CCCCCCCC)CCCCCCCC.O=C(O)O
InChIInChI=1S/C24H51P.CH2O3/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;2-1(3)4/h4-24H2,1-3H3;(H2,2,3,4)
InChIKeyLKQWBZOJUXXYIA-UHFFFAOYSA-N
XLogP9.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.67
LogP ≤ 59.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

3-[2-carboxyethyl(dodecyl)phosphanyl]propanoic acid
CID 88838976
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
prop-2-enoic acid;trioctylphosphane
CID 158882844
2-diheptylphosphanylethyl(diheptyl)phosphane
CID 90110075
dodecane;trioctylphosphane;dihydrobromide
CID 173344161
2-dioctadecylphosphanylethyl(dioctadecyl)phosphane
CID 21448799
dibutyl(decyl)phosphane
CID 171559269
bismuthane;trioctylphosphane
CID 174398286
tris(trioctylphosphane);tungsten
CID 158972203
dibutyl(tetradecyl)phosphane
CID 118319275
tripentylphosphane
CID 2784073

Frequently Asked Questions

What is the IUPAC name of carbonic acid;trioctylphosphane?
The IUPAC name of carbonic acid;trioctylphosphane (CID 174362126) is carbonic acid;trioctylphosphane.
What is the SMILES notation for carbonic acid;trioctylphosphane?
The canonical SMILES for carbonic acid;trioctylphosphane is CCCCCCCCP(CCCCCCCC)CCCCCCCC.O=C(O)O.
What is the InChIKey of carbonic acid;trioctylphosphane?
The InChIKey is LKQWBZOJUXXYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51P.CH2O3/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;2-1(3)4/h4-24H2,1-3H3;(H2,2,3,4).
What are the key properties of carbonic acid;trioctylphosphane?
carbonic acid;trioctylphosphane has a molecular weight of 432.67 g/mol, XLogP of 9.77, 21 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;trioctylphosphane is sourced from PubChem (CID 174362126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).