3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane

C10H23O3P — CID 170850874

IUPAC3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane
SMILESCCOP(=O)(CC)OC(C)C(C)(C)C
InChIInChI=1S/C10H23O3P/c1-7-12-14(11,8-2)13-9(3)10(4,5)6/h9H,7-8H2,1-6H3
InChIKeyNRZNOCNQGJCPIZ-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.69
Rot. Bonds5

About 3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane

3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane (PubChem CID 170850874) has the molecular formula C10H23O3P and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane.

Molecular Properties

Compound Name3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane
PubChem CID170850874
Molecular FormulaC10H23O3P
Molecular Weight222.26 g/mol
Exact Mass222.14
IUPAC Name3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane
SMILESCCOP(=O)(CC)OC(C)C(C)(C)C
InChIInChI=1S/C10H23O3P/c1-7-12-14(11,8-2)13-9(3)10(4,5)6/h9H,7-8H2,1-6H3
InChIKeyNRZNOCNQGJCPIZ-UHFFFAOYSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[ethoxy(ethyl)phosphoryl]oxybutan-1-ol
CID 175439157
2-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-3-methylpentane
CID 170850671
[ethoxy(ethyl)phosphoryl] hypochlorite
CID 87057693
tert-butyl-[1-[ethoxy(ethyl)phosphoryl]oxyprop-2-enoxy]-dimethylsilane
CID 57238883
2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol
CID 12012614
N-(diethoxyphosphorylmethyl)propan-2-amine
CID 12633666
(3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane
CID 129373323
diethyl 2-[ethoxy(ethyl)phosphoryl]oxybutanedioate
CID 88550121
3-[2-ethylsulfanylethylsulfanyl(methyl)phosphoryl]oxy-2,2-dimethylbutane
CID 90470717
bis[[ethoxy(ethyl)phosphoryl]oxy]-oxophosphanium
CID 155345155
(5S)-5-(diethoxyphosphorylmethyl)-2,2,6-trimethylheptan-3-one
CID 15200871
1-diethoxyphosphoryl-2-(2-ethylsulfonylpropan-2-ylsulfonyl)butane
CID 87251968

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane?
The IUPAC name of 3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane (CID 170850874) is 3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane.
What is the SMILES notation for 3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane?
The canonical SMILES for 3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane is CCOP(=O)(CC)OC(C)C(C)(C)C.
What is the InChIKey of 3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane?
The InChIKey is NRZNOCNQGJCPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O3P/c1-7-12-14(11,8-2)13-9(3)10(4,5)6/h9H,7-8H2,1-6H3.
What are the key properties of 3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane?
3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane has a molecular weight of 222.26 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane is sourced from PubChem (CID 170850874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).