[2-di(propan-2-yl)phosphanyloxyphenyl]sulfanyl-di(propan-2-yl)phosphane

C18H32OP2S — CID 132508426

IUPAC[2-di(propan-2-yl)phosphanyloxyphenyl]sulfanyl-di(propan-2-yl)phosphane
SMILESCC(C)P(Oc1ccccc1SP(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C18H32OP2S/c1-13(2)20(14(3)4)19-17-11-9-10-12-18(17)22-21(15(5)6)16(7)8/h9-16H,1-8H3
InChIKeyZWWNCSKPNIZUDH-UHFFFAOYSA-N
MW358.47 g/mol
LogP7.58
Rot. Bonds8

About [2-di(propan-2-yl)phosphanyloxyphenyl]sulfanyl-di(propan-2-yl)phosphane

[2-di(propan-2-yl)phosphanyloxyphenyl]sulfanyl-di(propan-2-yl)phosphane (PubChem CID 132508426) has the molecular formula C18H32OP2S and a molecular weight of 358.47 g/mol. Its IUPAC name is [2-di(propan-2-yl)phosphanyloxyphenyl]sulfanyl-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name[2-di(propan-2-yl)phosphanyloxyphenyl]sulfanyl-di(propan-2-yl)phosphane
PubChem CID132508426
Molecular FormulaC18H32OP2S
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name[2-di(propan-2-yl)phosphanyloxyphenyl]sulfanyl-di(propan-2-yl)phosphane
SMILESCC(C)P(Oc1ccccc1SP(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C18H32OP2S/c1-13(2)20(14(3)4)19-17-11-9-10-12-18(17)22-21(15(5)6)16(7)8/h9-16H,1-8H3
InChIKeyZWWNCSKPNIZUDH-UHFFFAOYSA-N
XLogP7.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-di(propan-2-yl)phosphanyloxyphenyl]sulfanyl-di(propan-2-yl)phosphane?
The IUPAC name of [2-di(propan-2-yl)phosphanyloxyphenyl]sulfanyl-di(propan-2-yl)phosphane (CID 132508426) is [2-di(propan-2-yl)phosphanyloxyphenyl]sulfanyl-di(propan-2-yl)phosphane.
What is the SMILES notation for [2-di(propan-2-yl)phosphanyloxyphenyl]sulfanyl-di(propan-2-yl)phosphane?
The canonical SMILES for [2-di(propan-2-yl)phosphanyloxyphenyl]sulfanyl-di(propan-2-yl)phosphane is CC(C)P(Oc1ccccc1SP(C(C)C)C(C)C)C(C)C.
What is the InChIKey of [2-di(propan-2-yl)phosphanyloxyphenyl]sulfanyl-di(propan-2-yl)phosphane?
The InChIKey is ZWWNCSKPNIZUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OP2S/c1-13(2)20(14(3)4)19-17-11-9-10-12-18(17)22-21(15(5)6)16(7)8/h9-16H,1-8H3.
What are the key properties of [2-di(propan-2-yl)phosphanyloxyphenyl]sulfanyl-di(propan-2-yl)phosphane?
[2-di(propan-2-yl)phosphanyloxyphenyl]sulfanyl-di(propan-2-yl)phosphane has a molecular weight of 358.47 g/mol, XLogP of 7.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-di(propan-2-yl)phosphanyloxyphenyl]sulfanyl-di(propan-2-yl)phosphane is sourced from PubChem (CID 132508426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).