2-di(propan-2-yl)phosphorylpropane

C9H21OP — CID 519438

IUPAC2-di(propan-2-yl)phosphorylpropane
SMILESCC(C)P(=O)(C(C)C)C(C)C
InChIInChI=1S/C9H21OP/c1-7(2)11(10,8(3)4)9(5)6/h7-9H,1-6H3
InChIKeyGEZGQQFKEOIGJS-UHFFFAOYSA-N
MW176.24 g/mol
LogP3.57
Rot. Bonds3

About 2-di(propan-2-yl)phosphorylpropane

2-di(propan-2-yl)phosphorylpropane (PubChem CID 519438) has the molecular formula C9H21OP and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-di(propan-2-yl)phosphorylpropane.

Molecular Properties

Compound Name2-di(propan-2-yl)phosphorylpropane
PubChem CID519438
Molecular FormulaC9H21OP
Molecular Weight176.24 g/mol
Exact Mass176.13
IUPAC Name2-di(propan-2-yl)phosphorylpropane
SMILESCC(C)P(=O)(C(C)C)C(C)C
InChIInChI=1S/C9H21OP/c1-7(2)11(10,8(3)4)9(5)6/h7-9H,1-6H3
InChIKeyGEZGQQFKEOIGJS-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)phosphorylpropane?
The IUPAC name of 2-di(propan-2-yl)phosphorylpropane (CID 519438) is 2-di(propan-2-yl)phosphorylpropane.
What is the SMILES notation for 2-di(propan-2-yl)phosphorylpropane?
The canonical SMILES for 2-di(propan-2-yl)phosphorylpropane is CC(C)P(=O)(C(C)C)C(C)C.
What is the InChIKey of 2-di(propan-2-yl)phosphorylpropane?
The InChIKey is GEZGQQFKEOIGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21OP/c1-7(2)11(10,8(3)4)9(5)6/h7-9H,1-6H3.
What are the key properties of 2-di(propan-2-yl)phosphorylpropane?
2-di(propan-2-yl)phosphorylpropane has a molecular weight of 176.24 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(propan-2-yl)phosphorylpropane is sourced from PubChem (CID 519438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).