(1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane

C10H23O3PS — CID 101252450

IUPAC(1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane
SMILESCC[C@@H](SC)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H23O3PS/c1-7-10(15-6)14(11,12-8(2)3)13-9(4)5/h8-10H,7H2,1-6H3/t10-/m1/s1
InChIKeyOXPYFGKEFJGLOD-SNVBAGLBSA-N
MW254.33 g/mol
LogP4.13
Rot. Bonds7

About (1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane

(1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane (PubChem CID 101252450) has the molecular formula C10H23O3PS and a molecular weight of 254.33 g/mol. Its IUPAC name is (1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane.

Molecular Properties

Compound Name(1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane
PubChem CID101252450
Molecular FormulaC10H23O3PS
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Name(1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane
SMILESCC[C@@H](SC)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H23O3PS/c1-7-10(15-6)14(11,12-8(2)3)13-9(4)5/h8-10H,7H2,1-6H3/t10-/m1/s1
InChIKeyOXPYFGKEFJGLOD-SNVBAGLBSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 15373881
(1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane
CID 101252455
2-[[[[di(propan-2-yloxy)phosphoryl-ethylsulfanylmethyl]disulfanyl]-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 10325067
butan-2-yl dipropan-2-yl phosphate
CID 71379379
2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 10088168
4-di(propan-2-yloxy)phosphoryl-3,3-dimethyl-4-methylsulfanylbut-1-ene
CID 15254083
ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate
CID 11207945
1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol
CID 13148198
2-diethoxyphosphorylbutane
CID 2733649
2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
CID 134976793
(1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol
CID 125471706
(3S)-3-di(propan-2-yloxy)phosphorylhexanal
CID 23659686

Frequently Asked Questions

What is the IUPAC name of (1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane?
The IUPAC name of (1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane (CID 101252450) is (1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane.
What is the SMILES notation for (1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane?
The canonical SMILES for (1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane is CC[C@@H](SC)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of (1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane?
The InChIKey is OXPYFGKEFJGLOD-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H23O3PS/c1-7-10(15-6)14(11,12-8(2)3)13-9(4)5/h8-10H,7H2,1-6H3/t10-/m1/s1.
What are the key properties of (1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane?
(1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane has a molecular weight of 254.33 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane is sourced from PubChem (CID 101252450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).