ditert-butyl methylsulfonylmethyl phosphate

C10H23O6PS — CID 156782919

IUPACditert-butyl methylsulfonylmethyl phosphate
SMILESCC(C)(C)OP(=O)(OCS(C)(=O)=O)OC(C)(C)C
InChIInChI=1S/C10H23O6PS/c1-9(2,3)15-17(11,16-10(4,5)6)14-8-18(7,12)13/h8H2,1-7H3
InChIKeyWWUHWKMWXCMVFU-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.74
Rot. Bonds5

About ditert-butyl methylsulfonylmethyl phosphate

ditert-butyl methylsulfonylmethyl phosphate (PubChem CID 156782919) has the molecular formula C10H23O6PS and a molecular weight of 302.33 g/mol. Its IUPAC name is ditert-butyl methylsulfonylmethyl phosphate.

Molecular Properties

Compound Nameditert-butyl methylsulfonylmethyl phosphate
PubChem CID156782919
Molecular FormulaC10H23O6PS
Molecular Weight302.33 g/mol
Exact Mass302.10
IUPAC Nameditert-butyl methylsulfonylmethyl phosphate
SMILESCC(C)(C)OP(=O)(OCS(C)(=O)=O)OC(C)(C)C
InChIInChI=1S/C10H23O6PS/c1-9(2,3)15-17(11,16-10(4,5)6)14-8-18(7,12)13/h8H2,1-7H3
InChIKeyWWUHWKMWXCMVFU-UHFFFAOYSA-N
XLogP2.74
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethylamino]ethyl ditert-butyl phosphate
CID 88578447
potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl hydrogen phosphate
CID 158973567
tert-butyl bis(prop-2-ynyl) phosphate
CID 134297129
tert-butyl chloromethyl methyl phosphate
CID 89409373
2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane
CID 87128310
potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane
CID 162107188
ditert-butyl dec-9-enyl phosphate
CID 11405329
bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl N-[2-(methylamino)ethyl]carbamate
CID 168835594
diazanium;tert-butyl phosphate
CID 121268914
silver ditert-butyl phosphate
CID 18428988
[(2-methylpropan-2-yl)oxy-(propanoyloxymethoxy)phosphoryl]oxymethyl propanoate
CID 122697879
ditert-butyl [(E)-octadec-9-enyl] phosphate
CID 87076842

Frequently Asked Questions

What is the IUPAC name of ditert-butyl methylsulfonylmethyl phosphate?
The IUPAC name of ditert-butyl methylsulfonylmethyl phosphate (CID 156782919) is ditert-butyl methylsulfonylmethyl phosphate.
What is the SMILES notation for ditert-butyl methylsulfonylmethyl phosphate?
The canonical SMILES for ditert-butyl methylsulfonylmethyl phosphate is CC(C)(C)OP(=O)(OCS(C)(=O)=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl methylsulfonylmethyl phosphate?
The InChIKey is WWUHWKMWXCMVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O6PS/c1-9(2,3)15-17(11,16-10(4,5)6)14-8-18(7,12)13/h8H2,1-7H3.
What are the key properties of ditert-butyl methylsulfonylmethyl phosphate?
ditert-butyl methylsulfonylmethyl phosphate has a molecular weight of 302.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl methylsulfonylmethyl phosphate is sourced from PubChem (CID 156782919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).