(tetraethyl-λ5-phosphanyl) phenylmethanesulfonate

C15H27O3PS — CID 141195623

IUPAC(tetraethyl-λ5-phosphanyl) phenylmethanesulfonate
SMILESCCP(CC)(CC)(CC)OS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H27O3PS/c1-5-19(6-2,7-3,8-4)18-20(16,17)14-15-12-10-9-11-13-15/h9-13H,5-8,14H2,1-4H3
InChIKeyAOGLUHQIHMWWGI-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.08
Rot. Bonds8

About (tetraethyl-λ5-phosphanyl) phenylmethanesulfonate

(tetraethyl-λ5-phosphanyl) phenylmethanesulfonate (PubChem CID 141195623) has the molecular formula C15H27O3PS and a molecular weight of 318.42 g/mol. Its IUPAC name is (tetraethyl-λ5-phosphanyl) phenylmethanesulfonate.

Molecular Properties

Compound Name(tetraethyl-λ5-phosphanyl) phenylmethanesulfonate
PubChem CID141195623
Molecular FormulaC15H27O3PS
Molecular Weight318.42 g/mol
Exact Mass318.14
IUPAC Name(tetraethyl-λ5-phosphanyl) phenylmethanesulfonate
SMILESCCP(CC)(CC)(CC)OS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H27O3PS/c1-5-19(6-2,7-3,8-4)18-20(16,17)14-15-12-10-9-11-13-15/h9-13H,5-8,14H2,1-4H3
InChIKeyAOGLUHQIHMWWGI-UHFFFAOYSA-N
XLogP4.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate
CID 139767697
[methyl-tris(2-methylpropyl)-λ5-phosphanyl] phenylmethanesulfonate
CID 141245724
methyl phenylmethanesulfonate;hydrochloride
CID 174842265
benzylsulfonyl acetate
CID 18539477
1-cyanopropyl phenylmethanesulfonate
CID 11031968
sodium benzyl phenylmethanesulfonate
CID 22169271
(18F)fluoromethyl phenylmethanesulfonate
CID 172775641
[2,3-bis(benzylsulfonyloxy)phenyl] phenylmethanesulfonate
CID 18625063
ethenyl phenylmethanesulfonate
CID 54312072
2-methylhexan-2-yl phenylmethanesulfonate
CID 139969051
[2-[(2-benzylsulfonyloxyphenyl)disulfanyl]phenyl] phenylmethanesulfonate
CID 87179322
1,3-dihydroisoindol-2-yl phenylmethanesulfonate
CID 141069223

Frequently Asked Questions

What is the IUPAC name of (tetraethyl-λ5-phosphanyl) phenylmethanesulfonate?
The IUPAC name of (tetraethyl-λ5-phosphanyl) phenylmethanesulfonate (CID 141195623) is (tetraethyl-λ5-phosphanyl) phenylmethanesulfonate.
What is the SMILES notation for (tetraethyl-λ5-phosphanyl) phenylmethanesulfonate?
The canonical SMILES for (tetraethyl-λ5-phosphanyl) phenylmethanesulfonate is CCP(CC)(CC)(CC)OS(=O)(=O)Cc1ccccc1.
What is the InChIKey of (tetraethyl-λ5-phosphanyl) phenylmethanesulfonate?
The InChIKey is AOGLUHQIHMWWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27O3PS/c1-5-19(6-2,7-3,8-4)18-20(16,17)14-15-12-10-9-11-13-15/h9-13H,5-8,14H2,1-4H3.
What are the key properties of (tetraethyl-λ5-phosphanyl) phenylmethanesulfonate?
(tetraethyl-λ5-phosphanyl) phenylmethanesulfonate has a molecular weight of 318.42 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (tetraethyl-λ5-phosphanyl) phenylmethanesulfonate is sourced from PubChem (CID 141195623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).