1-[tert-butyl(diethoxymethyl)phosphoryl]-2-methylpropane

C13H29O3P — CID 19938716

IUPAC1-[tert-butyl(diethoxymethyl)phosphoryl]-2-methylpropane
SMILESCCOC(OCC)P(=O)(CC(C)C)C(C)(C)C
InChIInChI=1S/C13H29O3P/c1-8-15-12(16-9-2)17(14,10-11(3)4)13(5,6)7/h11-12H,8-10H2,1-7H3
InChIKeyWWEMZZNCMHMYIA-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.16
Rot. Bonds7

About 1-[tert-butyl(diethoxymethyl)phosphoryl]-2-methylpropane

1-[tert-butyl(diethoxymethyl)phosphoryl]-2-methylpropane (PubChem CID 19938716) has the molecular formula C13H29O3P and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[tert-butyl(diethoxymethyl)phosphoryl]-2-methylpropane.

Molecular Properties

Compound Name1-[tert-butyl(diethoxymethyl)phosphoryl]-2-methylpropane
PubChem CID19938716
Molecular FormulaC13H29O3P
Molecular Weight264.35 g/mol
Exact Mass264.19
IUPAC Name1-[tert-butyl(diethoxymethyl)phosphoryl]-2-methylpropane
SMILESCCOC(OCC)P(=O)(CC(C)C)C(C)(C)C
InChIInChI=1S/C13H29O3P/c1-8-15-12(16-9-2)17(14,10-11(3)4)13(5,6)7/h11-12H,8-10H2,1-7H3
InChIKeyWWEMZZNCMHMYIA-UHFFFAOYSA-N
XLogP4.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[diethoxymethyl(ethoxy)phosphoryl]-3-methylbutan-1-amine
CID 102433122
diethoxymethyl(methyl)phosphinate
CID 21292315
1-[tert-butyl(chloro)phosphoryl]-2-methylpropane
CID 71563447
1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane
CID 10468119
2-[bis(2,2-diethoxyethyl)phosphoryl]-1,1-diethoxyethane
CID 14740209
3-diethoxyphosphoryl-2,2,5-trimethylhexane
CID 87328302
[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid
CID 158213950
(2R)-2-[[(1R)-1-[diethoxymethyl(ethoxy)phosphoryl]propyl]amino]-4-methylpentanoic acid
CID 129382691
3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine
CID 116725715
[(2S)-3-amino-2-hydroxypropyl]-(diethoxymethyl)phosphinic acid
CID 10377028
2-[diethoxymethyl(ethoxy)phosphoryl]-2-phenylpropan-1-amine
CID 67677620
1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane
CID 131851562

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(diethoxymethyl)phosphoryl]-2-methylpropane?
The IUPAC name of 1-[tert-butyl(diethoxymethyl)phosphoryl]-2-methylpropane (CID 19938716) is 1-[tert-butyl(diethoxymethyl)phosphoryl]-2-methylpropane.
What is the SMILES notation for 1-[tert-butyl(diethoxymethyl)phosphoryl]-2-methylpropane?
The canonical SMILES for 1-[tert-butyl(diethoxymethyl)phosphoryl]-2-methylpropane is CCOC(OCC)P(=O)(CC(C)C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(diethoxymethyl)phosphoryl]-2-methylpropane?
The InChIKey is WWEMZZNCMHMYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29O3P/c1-8-15-12(16-9-2)17(14,10-11(3)4)13(5,6)7/h11-12H,8-10H2,1-7H3.
What are the key properties of 1-[tert-butyl(diethoxymethyl)phosphoryl]-2-methylpropane?
1-[tert-butyl(diethoxymethyl)phosphoryl]-2-methylpropane has a molecular weight of 264.35 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(diethoxymethyl)phosphoryl]-2-methylpropane is sourced from PubChem (CID 19938716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).