2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane

C12H27O3P — CID 87128310

IUPAC2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane
SMILESCC(C)(C)OP(=O)(OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27O3P/c1-10(2,3)14-16(13,12(7,8)9)15-11(4,5)6/h1-9H3
InChIKeyFLBSPJFCWPIIJB-UHFFFAOYSA-N
MW250.32 g/mol
LogP4.61
Rot. Bonds2

About 2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane

2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane (PubChem CID 87128310) has the molecular formula C12H27O3P and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane.

Molecular Properties

Compound Name2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane
PubChem CID87128310
Molecular FormulaC12H27O3P
Molecular Weight250.32 g/mol
Exact Mass250.17
IUPAC Name2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane
SMILESCC(C)(C)OP(=O)(OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27O3P/c1-10(2,3)14-16(13,12(7,8)9)15-11(4,5)6/h1-9H3
InChIKeyFLBSPJFCWPIIJB-UHFFFAOYSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane?
The IUPAC name of 2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane (CID 87128310) is 2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane.
What is the SMILES notation for 2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane?
The canonical SMILES for 2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane is CC(C)(C)OP(=O)(OC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane?
The InChIKey is FLBSPJFCWPIIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O3P/c1-10(2,3)14-16(13,12(7,8)9)15-11(4,5)6/h1-9H3.
What are the key properties of 2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane?
2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane has a molecular weight of 250.32 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane is sourced from PubChem (CID 87128310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).