2-[tert-butyl(propyl)phosphoryl]-2-methylpropane

C11H25OP — CID 546154

IUPAC2-[tert-butyl(propyl)phosphoryl]-2-methylpropane
SMILESCCCP(=O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H25OP/c1-8-9-13(12,10(2,3)4)11(5,6)7/h8-9H2,1-7H3
InChIKeyTZJHVZUTUFRVOT-UHFFFAOYSA-N
MW204.29 g/mol
LogP4.36
Rot. Bonds2

About 2-[tert-butyl(propyl)phosphoryl]-2-methylpropane

2-[tert-butyl(propyl)phosphoryl]-2-methylpropane (PubChem CID 546154) has the molecular formula C11H25OP and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-[tert-butyl(propyl)phosphoryl]-2-methylpropane.

Molecular Properties

Compound Name2-[tert-butyl(propyl)phosphoryl]-2-methylpropane
PubChem CID546154
Molecular FormulaC11H25OP
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC Name2-[tert-butyl(propyl)phosphoryl]-2-methylpropane
SMILESCCCP(=O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H25OP/c1-8-9-13(12,10(2,3)4)11(5,6)7/h8-9H2,1-7H3
InChIKeyTZJHVZUTUFRVOT-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(2-ditert-butylphosphorylethyl)phosphoryl]-2-methylpropane
CID 616942
2-[bromomethyl(tert-butyl)phosphoryl]-2-methylpropane
CID 59576311
2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane
CID 91347347
1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane
CID 14898577
2-dipropoxyphosphoryl-2-methylpropane
CID 58435824
CID 172720905
CID 172720905
methyl(propyl)phosphinic acid
CID 10992780
alumane;butyl(propyl)phosphinic acid
CID 174987333
2-bis(propylsulfanyl)phosphoryl-2-methylpropane
CID 23413470
N-[methylamino(propyl)phosphoryl]methanamine
CID 88626669
dimagnesium;dioxido-oxo-propyl-λ5-phosphane;dichloride
CID 153434042
dipropylphosphorylmethanol
CID 18981637

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(propyl)phosphoryl]-2-methylpropane?
The IUPAC name of 2-[tert-butyl(propyl)phosphoryl]-2-methylpropane (CID 546154) is 2-[tert-butyl(propyl)phosphoryl]-2-methylpropane.
What is the SMILES notation for 2-[tert-butyl(propyl)phosphoryl]-2-methylpropane?
The canonical SMILES for 2-[tert-butyl(propyl)phosphoryl]-2-methylpropane is CCCP(=O)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(propyl)phosphoryl]-2-methylpropane?
The InChIKey is TZJHVZUTUFRVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25OP/c1-8-9-13(12,10(2,3)4)11(5,6)7/h8-9H2,1-7H3.
What are the key properties of 2-[tert-butyl(propyl)phosphoryl]-2-methylpropane?
2-[tert-butyl(propyl)phosphoryl]-2-methylpropane has a molecular weight of 204.29 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(propyl)phosphoryl]-2-methylpropane is sourced from PubChem (CID 546154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).