1-di(propan-2-yloxy)phosphoryl-2-di(propan-2-yloxy)phosphorylsulfanylbenzene

C18H32O6P2S — CID 102532603

IUPAC1-di(propan-2-yloxy)phosphoryl-2-di(propan-2-yloxy)phosphorylsulfanylbenzene
SMILESCC(C)OP(=O)(OC(C)C)Sc1ccccc1P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C18H32O6P2S/c1-13(2)21-25(19,22-14(3)4)17-11-9-10-12-18(17)27-26(20,23-15(5)6)24-16(7)8/h9-16H,1-8H3
InChIKeyXDFYUZHOMGAMDD-UHFFFAOYSA-N
MW438.46 g/mol
LogP6.41
Rot. Bonds11

About 1-di(propan-2-yloxy)phosphoryl-2-di(propan-2-yloxy)phosphorylsulfanylbenzene

1-di(propan-2-yloxy)phosphoryl-2-di(propan-2-yloxy)phosphorylsulfanylbenzene (PubChem CID 102532603) has the molecular formula C18H32O6P2S and a molecular weight of 438.46 g/mol. Its IUPAC name is 1-di(propan-2-yloxy)phosphoryl-2-di(propan-2-yloxy)phosphorylsulfanylbenzene.

Molecular Properties

Compound Name1-di(propan-2-yloxy)phosphoryl-2-di(propan-2-yloxy)phosphorylsulfanylbenzene
PubChem CID102532603
Molecular FormulaC18H32O6P2S
Molecular Weight438.46 g/mol
Exact Mass438.14
IUPAC Name1-di(propan-2-yloxy)phosphoryl-2-di(propan-2-yloxy)phosphorylsulfanylbenzene
SMILESCC(C)OP(=O)(OC(C)C)Sc1ccccc1P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C18H32O6P2S/c1-13(2)21-25(19,22-14(3)4)17-11-9-10-12-18(17)27-26(20,23-15(5)6)24-16(7)8/h9-16H,1-8H3
InChIKeyXDFYUZHOMGAMDD-UHFFFAOYSA-N
XLogP6.41
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.46
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-di(propan-2-yloxy)phosphorylchromen-2-one
CID 132918495
(2-methylphenyl)-propan-2-yloxyphosphinic acid
CID 139679819
(2-methylsulfinylphenyl)-propan-2-yloxyphosphinic acid
CID 102433297
S-[3-di(propan-2-yloxy)phosphorylthiophen-2-yl] benzenecarbothioate
CID 102593670
1-[di(propan-2-yloxy)phosphorylsulfanylmethyl]-2-iodobenzene
CID 46855906
1-cyclohexylsulfonyl-3-[2-di(propan-2-yloxy)phosphorylphenyl]urea
CID 22564937
[propan-2-yl(propan-2-yloxy)phosphoryl]benzene
CID 21317872
[(1R,2S)-2-phenylcyclohexyl] 2-di(propan-2-yloxy)phosphorylbenzenesulfinate
CID 101372614
[methyl(propan-2-yloxy)phosphoryl]methylbenzene
CID 11769791
[tert-butyl(propan-2-yloxy)phosphoryl]benzene
CID 57270314
benzylsulfanyl dipropan-2-yl phosphate
CID 57006297
2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane
CID 71508140

Frequently Asked Questions

What is the IUPAC name of 1-di(propan-2-yloxy)phosphoryl-2-di(propan-2-yloxy)phosphorylsulfanylbenzene?
The IUPAC name of 1-di(propan-2-yloxy)phosphoryl-2-di(propan-2-yloxy)phosphorylsulfanylbenzene (CID 102532603) is 1-di(propan-2-yloxy)phosphoryl-2-di(propan-2-yloxy)phosphorylsulfanylbenzene.
What is the SMILES notation for 1-di(propan-2-yloxy)phosphoryl-2-di(propan-2-yloxy)phosphorylsulfanylbenzene?
The canonical SMILES for 1-di(propan-2-yloxy)phosphoryl-2-di(propan-2-yloxy)phosphorylsulfanylbenzene is CC(C)OP(=O)(OC(C)C)Sc1ccccc1P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 1-di(propan-2-yloxy)phosphoryl-2-di(propan-2-yloxy)phosphorylsulfanylbenzene?
The InChIKey is XDFYUZHOMGAMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O6P2S/c1-13(2)21-25(19,22-14(3)4)17-11-9-10-12-18(17)27-26(20,23-15(5)6)24-16(7)8/h9-16H,1-8H3.
What are the key properties of 1-di(propan-2-yloxy)phosphoryl-2-di(propan-2-yloxy)phosphorylsulfanylbenzene?
1-di(propan-2-yloxy)phosphoryl-2-di(propan-2-yloxy)phosphorylsulfanylbenzene has a molecular weight of 438.46 g/mol, XLogP of 6.41, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-di(propan-2-yloxy)phosphoryl-2-di(propan-2-yloxy)phosphorylsulfanylbenzene is sourced from PubChem (CID 102532603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).