1-[bis(2-methylpropyl)phosphoryloxy]-2-methylpropane

C12H27O2P — CID 87129558

IUPAC1-[bis(2-methylpropyl)phosphoryloxy]-2-methylpropane
SMILESCC(C)COP(=O)(CC(C)C)CC(C)C
InChIInChI=1S/C12H27O2P/c1-10(2)7-14-15(13,8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3
InChIKeyHRSRTFWJBHAXST-UHFFFAOYSA-N
MW234.32 g/mol
LogP4.25
Rot. Bonds7

About 1-[bis(2-methylpropyl)phosphoryloxy]-2-methylpropane

1-[bis(2-methylpropyl)phosphoryloxy]-2-methylpropane (PubChem CID 87129558) has the molecular formula C12H27O2P and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)phosphoryloxy]-2-methylpropane.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)phosphoryloxy]-2-methylpropane
PubChem CID87129558
Molecular FormulaC12H27O2P
Molecular Weight234.32 g/mol
Exact Mass234.17
IUPAC Name1-[bis(2-methylpropyl)phosphoryloxy]-2-methylpropane
SMILESCC(C)COP(=O)(CC(C)C)CC(C)C
InChIInChI=1S/C12H27O2P/c1-10(2)7-14-15(13,8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3
InChIKeyHRSRTFWJBHAXST-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 54.25
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 1-[bis(2-methylpropyl)phosphoryloxy]-2-methylpropane?
The IUPAC name of 1-[bis(2-methylpropyl)phosphoryloxy]-2-methylpropane (CID 87129558) is 1-[bis(2-methylpropyl)phosphoryloxy]-2-methylpropane.
What is the SMILES notation for 1-[bis(2-methylpropyl)phosphoryloxy]-2-methylpropane?
The canonical SMILES for 1-[bis(2-methylpropyl)phosphoryloxy]-2-methylpropane is CC(C)COP(=O)(CC(C)C)CC(C)C.
What is the InChIKey of 1-[bis(2-methylpropyl)phosphoryloxy]-2-methylpropane?
The InChIKey is HRSRTFWJBHAXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O2P/c1-10(2)7-14-15(13,8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3.
What are the key properties of 1-[bis(2-methylpropyl)phosphoryloxy]-2-methylpropane?
1-[bis(2-methylpropyl)phosphoryloxy]-2-methylpropane has a molecular weight of 234.32 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylpropyl)phosphoryloxy]-2-methylpropane is sourced from PubChem (CID 87129558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).