3,4-diethyldecan-3-ylphosphane;methanesulfonic acid

C15H35O3PS — CID 173110597

IUPAC3,4-diethyldecan-3-ylphosphane;methanesulfonic acid
SMILESCCCCCCC(CC)C(P)(CC)CC.CS(=O)(=O)O
InChIInChI=1S/C14H31P.CH4O3S/c1-5-9-10-11-12-13(6-2)14(15,7-3)8-4;1-5(2,3)4/h13H,5-12,15H2,1-4H3;1H3,(H,2,3,4)
InChIKeyPODORCCCAWWGHV-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.92
Rot. Bonds9

About 3,4-diethyldecan-3-ylphosphane;methanesulfonic acid

3,4-diethyldecan-3-ylphosphane;methanesulfonic acid (PubChem CID 173110597) has the molecular formula C15H35O3PS and a molecular weight of 326.48 g/mol. Its IUPAC name is 3,4-diethyldecan-3-ylphosphane;methanesulfonic acid.

Molecular Properties

Compound Name3,4-diethyldecan-3-ylphosphane;methanesulfonic acid
PubChem CID173110597
Molecular FormulaC15H35O3PS
Molecular Weight326.48 g/mol
Exact Mass326.20
IUPAC Name3,4-diethyldecan-3-ylphosphane;methanesulfonic acid
SMILESCCCCCCC(CC)C(P)(CC)CC.CS(=O)(=O)O
InChIInChI=1S/C14H31P.CH4O3S/c1-5-9-10-11-12-13(6-2)14(15,7-3)8-4;1-5(2,3)4/h13H,5-12,15H2,1-4H3;1H3,(H,2,3,4)
InChIKeyPODORCCCAWWGHV-UHFFFAOYSA-N
XLogP4.92
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3,4-diethylicosan-3-ylphosphane;hydrobromide
CID 173024292
3,4-diethyltridecan-3-ylphosphane;hydroiodide
CID 173158517
(5-butyl-6-ethyldodecan-5-yl)phosphane
CID 87508969
4-ethylundecane-3,3-diol
CID 156789030
butane;ethane;methanesulfonic acid;octane
CID 144526252
7,8-dihexylicosan-7-ylphosphane
CID 18442252
9,10-dioctyloctadecan-9-ylphosphane
CID 18997725
3,4-diethylundecan-3-amine;hydrobromide
CID 173157515
8,9-diheptylhenicosan-8-ylphosphane
CID 87777798
3-ethyl-2-methylundecan-2-ol
CID 91236413
(4-ethyl-3-phosphanyloctan-3-yl)phosphane
CID 174710996
3,4-diethyldecan-3-amine;4-methylbenzenesulfonic acid
CID 174992090

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyldecan-3-ylphosphane;methanesulfonic acid?
The IUPAC name of 3,4-diethyldecan-3-ylphosphane;methanesulfonic acid (CID 173110597) is 3,4-diethyldecan-3-ylphosphane;methanesulfonic acid.
What is the SMILES notation for 3,4-diethyldecan-3-ylphosphane;methanesulfonic acid?
The canonical SMILES for 3,4-diethyldecan-3-ylphosphane;methanesulfonic acid is CCCCCCC(CC)C(P)(CC)CC.CS(=O)(=O)O.
What is the InChIKey of 3,4-diethyldecan-3-ylphosphane;methanesulfonic acid?
The InChIKey is PODORCCCAWWGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31P.CH4O3S/c1-5-9-10-11-12-13(6-2)14(15,7-3)8-4;1-5(2,3)4/h13H,5-12,15H2,1-4H3;1H3,(H,2,3,4).
What are the key properties of 3,4-diethyldecan-3-ylphosphane;methanesulfonic acid?
3,4-diethyldecan-3-ylphosphane;methanesulfonic acid has a molecular weight of 326.48 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyldecan-3-ylphosphane;methanesulfonic acid is sourced from PubChem (CID 173110597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).