bis(1-di(propan-2-yl)phosphoryloxy-2,2-dimethylpropane);bis(2-di(propan-2-yl)phosphoryloxypropane)

C40H92O8P4 — CID 159940228

IUPACbis(1-di(propan-2-yl)phosphoryloxy-2,2-dimethylpropane);bis(2-di(propan-2-yl)phosphoryloxypropane)
SMILESCC(C)OP(=O)(C(C)C)C(C)C.CC(C)OP(=O)(C(C)C)C(C)C.CC(C)P(=O)(OCC(C)(C)C)C(C)C.CC(C)P(=O)(OCC(C)(C)C)C(C)C
InChIInChI=1S/2C11H25O2P.2C9H21O2P/c2*1-9(2)14(12,10(3)4)13-8-11(5,6)7;2*1-7(2)11-12(10,8(3)4)9(5)6/h2*9-10H,8H2,1-7H3;2*7-9H,1-6H3
InChIKeyOATXXSRJCMUHKN-UHFFFAOYSA-N
MW825.06 g/mol
LogP15.30
Rot. Bonds16

About bis(1-di(propan-2-yl)phosphoryloxy-2,2-dimethylpropane);bis(2-di(propan-2-yl)phosphoryloxypropane)

bis(1-di(propan-2-yl)phosphoryloxy-2,2-dimethylpropane);bis(2-di(propan-2-yl)phosphoryloxypropane) (PubChem CID 159940228) has the molecular formula C40H92O8P4 and a molecular weight of 825.06 g/mol. Its IUPAC name is bis(1-di(propan-2-yl)phosphoryloxy-2,2-dimethylpropane);bis(2-di(propan-2-yl)phosphoryloxypropane).

Molecular Properties

Compound Namebis(1-di(propan-2-yl)phosphoryloxy-2,2-dimethylpropane);bis(2-di(propan-2-yl)phosphoryloxypropane)
PubChem CID159940228
Molecular FormulaC40H92O8P4
Molecular Weight825.06 g/mol
Exact Mass824.57
IUPAC Namebis(1-di(propan-2-yl)phosphoryloxy-2,2-dimethylpropane);bis(2-di(propan-2-yl)phosphoryloxypropane)
SMILESCC(C)OP(=O)(C(C)C)C(C)C.CC(C)OP(=O)(C(C)C)C(C)C.CC(C)P(=O)(OCC(C)(C)C)C(C)C.CC(C)P(=O)(OCC(C)(C)C)C(C)C
InChIInChI=1S/2C11H25O2P.2C9H21O2P/c2*1-9(2)14(12,10(3)4)13-8-11(5,6)7;2*1-7(2)11-12(10,8(3)4)9(5)6/h2*9-10H,8H2,1-7H3;2*7-9H,1-6H3
InChIKeyOATXXSRJCMUHKN-UHFFFAOYSA-N
XLogP15.30
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.06
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1-di(propan-2-yl)phosphoryloxy-2,2-dimethylpropane);bis(2-di(propan-2-yl)phosphoryloxypropane)?
The IUPAC name of bis(1-di(propan-2-yl)phosphoryloxy-2,2-dimethylpropane);bis(2-di(propan-2-yl)phosphoryloxypropane) (CID 159940228) is bis(1-di(propan-2-yl)phosphoryloxy-2,2-dimethylpropane);bis(2-di(propan-2-yl)phosphoryloxypropane).
What is the SMILES notation for bis(1-di(propan-2-yl)phosphoryloxy-2,2-dimethylpropane);bis(2-di(propan-2-yl)phosphoryloxypropane)?
The canonical SMILES for bis(1-di(propan-2-yl)phosphoryloxy-2,2-dimethylpropane);bis(2-di(propan-2-yl)phosphoryloxypropane) is CC(C)OP(=O)(C(C)C)C(C)C.CC(C)OP(=O)(C(C)C)C(C)C.CC(C)P(=O)(OCC(C)(C)C)C(C)C.CC(C)P(=O)(OCC(C)(C)C)C(C)C.
What is the InChIKey of bis(1-di(propan-2-yl)phosphoryloxy-2,2-dimethylpropane);bis(2-di(propan-2-yl)phosphoryloxypropane)?
The InChIKey is OATXXSRJCMUHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H25O2P.2C9H21O2P/c2*1-9(2)14(12,10(3)4)13-8-11(5,6)7;2*1-7(2)11-12(10,8(3)4)9(5)6/h2*9-10H,8H2,1-7H3;2*7-9H,1-6H3.
What are the key properties of bis(1-di(propan-2-yl)phosphoryloxy-2,2-dimethylpropane);bis(2-di(propan-2-yl)phosphoryloxypropane)?
bis(1-di(propan-2-yl)phosphoryloxy-2,2-dimethylpropane);bis(2-di(propan-2-yl)phosphoryloxypropane) has a molecular weight of 825.06 g/mol, XLogP of 15.30, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-di(propan-2-yl)phosphoryloxy-2,2-dimethylpropane);bis(2-di(propan-2-yl)phosphoryloxypropane) is sourced from PubChem (CID 159940228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).