dodecylphosphinous acid

C12H27OP — CID 22292110

IUPACdodecylphosphinous acid
SMILESCCCCCCCCCCCCPO
InChIInChI=1S/C12H27OP/c1-2-3-4-5-6-7-8-9-10-11-12-14-13/h13-14H,2-12H2,1H3
InChIKeySUNQYDSLPRPRDM-UHFFFAOYSA-N
MW218.32 g/mol
LogP4.49
Rot. Bonds11

About dodecylphosphinous acid

dodecylphosphinous acid (PubChem CID 22292110) has the molecular formula C12H27OP and a molecular weight of 218.32 g/mol. Its IUPAC name is dodecylphosphinous acid.

Molecular Properties

Compound Namedodecylphosphinous acid
PubChem CID22292110
Molecular FormulaC12H27OP
Molecular Weight218.32 g/mol
Exact Mass218.18
IUPAC Namedodecylphosphinous acid
SMILESCCCCCCCCCCCCPO
InChIInChI=1S/C12H27OP/c1-2-3-4-5-6-7-8-9-10-11-12-14-13/h13-14H,2-12H2,1H3
InChIKeySUNQYDSLPRPRDM-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 54.49
H-Bond Donors ≤ 51
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

docosyl(docosylphosphanyl)phosphane
CID 21095052
octyl(pentylphosphanyl)phosphane
CID 21095189
decyl(undecyl)phosphane
CID 87830755
di(nonadecyl)phosphane
CID 87828565
dodecyl(octyl)phosphane
CID 87829037
methanol;undecane
CID 161373911
butyl(heptadecyl)phosphane
CID 146521828
methyl(tetradecyl)phosphane
CID 88708624
di(nonyl)phosphane;hydrochloride
CID 175813490
triacontane
CID 12535
dictane
CID 19848341
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of dodecylphosphinous acid?
The IUPAC name of dodecylphosphinous acid (CID 22292110) is dodecylphosphinous acid.
What is the SMILES notation for dodecylphosphinous acid?
The canonical SMILES for dodecylphosphinous acid is CCCCCCCCCCCCPO.
What is the InChIKey of dodecylphosphinous acid?
The InChIKey is SUNQYDSLPRPRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27OP/c1-2-3-4-5-6-7-8-9-10-11-12-14-13/h13-14H,2-12H2,1H3.
What are the key properties of dodecylphosphinous acid?
dodecylphosphinous acid has a molecular weight of 218.32 g/mol, XLogP of 4.49, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylphosphinous acid is sourced from PubChem (CID 22292110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).