(2,4-diethyl-1,3-dioxetan-2-yl)methoxy-methoxy-methyl-propylsilane

C12H26O4Si — CID 171481387

IUPAC(2,4-diethyl-1,3-dioxetan-2-yl)methoxy-methoxy-methyl-propylsilane
SMILESCCC[Si](C)(OC)OCC1(CC)OC(CC)O1
InChIInChI=1S/C12H26O4Si/c1-6-9-17(5,13-4)14-10-12(8-3)15-11(7-2)16-12/h11H,6-10H2,1-5H3
InChIKeyKBTHYCZNHJQLHP-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.02
Rot. Bonds8

About (2,4-diethyl-1,3-dioxetan-2-yl)methoxy-methoxy-methyl-propylsilane

(2,4-diethyl-1,3-dioxetan-2-yl)methoxy-methoxy-methyl-propylsilane (PubChem CID 171481387) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is (2,4-diethyl-1,3-dioxetan-2-yl)methoxy-methoxy-methyl-propylsilane.

Molecular Properties

Compound Name(2,4-diethyl-1,3-dioxetan-2-yl)methoxy-methoxy-methyl-propylsilane
PubChem CID171481387
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Name(2,4-diethyl-1,3-dioxetan-2-yl)methoxy-methoxy-methyl-propylsilane
SMILESCCC[Si](C)(OC)OCC1(CC)OC(CC)O1
InChIInChI=1S/C12H26O4Si/c1-6-9-17(5,13-4)14-10-12(8-3)15-11(7-2)16-12/h11H,6-10H2,1-5H3
InChIKeyKBTHYCZNHJQLHP-UHFFFAOYSA-N
XLogP3.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-diethyl-1,3-dioxetan-2-yl)methoxy-methoxy-methyl-propylsilane?
The IUPAC name of (2,4-diethyl-1,3-dioxetan-2-yl)methoxy-methoxy-methyl-propylsilane (CID 171481387) is (2,4-diethyl-1,3-dioxetan-2-yl)methoxy-methoxy-methyl-propylsilane.
What is the SMILES notation for (2,4-diethyl-1,3-dioxetan-2-yl)methoxy-methoxy-methyl-propylsilane?
The canonical SMILES for (2,4-diethyl-1,3-dioxetan-2-yl)methoxy-methoxy-methyl-propylsilane is CCC[Si](C)(OC)OCC1(CC)OC(CC)O1.
What is the InChIKey of (2,4-diethyl-1,3-dioxetan-2-yl)methoxy-methoxy-methyl-propylsilane?
The InChIKey is KBTHYCZNHJQLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-6-9-17(5,13-4)14-10-12(8-3)15-11(7-2)16-12/h11H,6-10H2,1-5H3.
What are the key properties of (2,4-diethyl-1,3-dioxetan-2-yl)methoxy-methoxy-methyl-propylsilane?
(2,4-diethyl-1,3-dioxetan-2-yl)methoxy-methoxy-methyl-propylsilane has a molecular weight of 262.42 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diethyl-1,3-dioxetan-2-yl)methoxy-methoxy-methyl-propylsilane is sourced from PubChem (CID 171481387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).