[3,3-dimethyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]oxy-dimethylsilane

C10H23O5PSi — CID 173329753

IUPAC[3,3-dimethyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]oxy-dimethylsilane
SMILESC[SiH](C)OC(COP1(=O)OCCO1)C(C)(C)C
InChIInChI=1S/C10H23O5PSi/c1-10(2,3)9(15-17(4)5)8-14-16(11)12-6-7-13-16/h9,17H,6-8H2,1-5H3
InChIKeyNNFKSWONZMWJKD-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.57
Rot. Bonds5

About [3,3-dimethyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]oxy-dimethylsilane

[3,3-dimethyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]oxy-dimethylsilane (PubChem CID 173329753) has the molecular formula C10H23O5PSi and a molecular weight of 282.35 g/mol. Its IUPAC name is [3,3-dimethyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Name[3,3-dimethyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]oxy-dimethylsilane
PubChem CID173329753
Molecular FormulaC10H23O5PSi
Molecular Weight282.35 g/mol
Exact Mass282.11
IUPAC Name[3,3-dimethyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]oxy-dimethylsilane
SMILESC[SiH](C)OC(COP1(=O)OCCO1)C(C)(C)C
InChIInChI=1S/C10H23O5PSi/c1-10(2,3)9(15-17(4)5)8-14-16(11)12-6-7-13-16/h9,17H,6-8H2,1-5H3
InChIKeyNNFKSWONZMWJKD-UHFFFAOYSA-N
XLogP2.57
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

lithium 2,2-dimethylhexan-3-yloxy(dimethyl)silane
CID 175146660
2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanol
CID 59760775
2-(2-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide
CID 71446406
N-[1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]acetamide
CID 123392986
(2-dimethylsilyloxy-3,3-dimethylbutyl) ethenyl carbonate
CID 173002161
2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide
CID 123874175
2-(3-methylsulfanylpropoxy)-1,3,2λ5-dioxaphospholane 2-oxide
CID 169097412
[3,3-dimethyl-1-(4-prop-2-ynoxyphenoxy)butan-2-yl]oxy-dimethylsilane
CID 173188384
(E,2S,3R)-2-methyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]octadec-4-en-3-ol
CID 130235873
bis[4-(3-dimethylsilyloxy-4,4-dimethylpentoxy)phenyl]methanone
CID 173273606
(6-dimethylsilyloxy-7,7-dimethyloctyl)-triphenylphosphanium
CID 173329265
2-(diethoxymethyl)-1,3,2lambda5-dioxaphospholane 2-oxide
CID 13349931

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]oxy-dimethylsilane?
The IUPAC name of [3,3-dimethyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]oxy-dimethylsilane (CID 173329753) is [3,3-dimethyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for [3,3-dimethyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]oxy-dimethylsilane?
The canonical SMILES for [3,3-dimethyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]oxy-dimethylsilane is C[SiH](C)OC(COP1(=O)OCCO1)C(C)(C)C.
What is the InChIKey of [3,3-dimethyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]oxy-dimethylsilane?
The InChIKey is NNFKSWONZMWJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O5PSi/c1-10(2,3)9(15-17(4)5)8-14-16(11)12-6-7-13-16/h9,17H,6-8H2,1-5H3.
What are the key properties of [3,3-dimethyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]oxy-dimethylsilane?
[3,3-dimethyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]oxy-dimethylsilane has a molecular weight of 282.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 173329753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).