(3-ethyloxetan-3-yl)methoxymethoxy-methoxy-methyl-propylsilane

C12H26O4Si — CID 154218652

IUPAC(3-ethyloxetan-3-yl)methoxymethoxy-methoxy-methyl-propylsilane
SMILESCCC[Si](C)(OC)OCOCC1(CC)COC1
InChIInChI=1S/C12H26O4Si/c1-5-7-17(4,13-3)16-11-15-10-12(6-2)8-14-9-12/h5-11H2,1-4H3
InChIKeyQNRXHHVJJMUZOH-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.53
Rot. Bonds9

About (3-ethyloxetan-3-yl)methoxymethoxy-methoxy-methyl-propylsilane

(3-ethyloxetan-3-yl)methoxymethoxy-methoxy-methyl-propylsilane (PubChem CID 154218652) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is (3-ethyloxetan-3-yl)methoxymethoxy-methoxy-methyl-propylsilane.

Molecular Properties

Compound Name(3-ethyloxetan-3-yl)methoxymethoxy-methoxy-methyl-propylsilane
PubChem CID154218652
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Name(3-ethyloxetan-3-yl)methoxymethoxy-methoxy-methyl-propylsilane
SMILESCCC[Si](C)(OC)OCOCC1(CC)COC1
InChIInChI=1S/C12H26O4Si/c1-5-7-17(4,13-3)16-11-15-10-12(6-2)8-14-9-12/h5-11H2,1-4H3
InChIKeyQNRXHHVJJMUZOH-UHFFFAOYSA-N
XLogP2.53
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-ethyloxetan-3-yl)methoxymethoxy-methoxy-methyl-propylsilane?
The IUPAC name of (3-ethyloxetan-3-yl)methoxymethoxy-methoxy-methyl-propylsilane (CID 154218652) is (3-ethyloxetan-3-yl)methoxymethoxy-methoxy-methyl-propylsilane.
What is the SMILES notation for (3-ethyloxetan-3-yl)methoxymethoxy-methoxy-methyl-propylsilane?
The canonical SMILES for (3-ethyloxetan-3-yl)methoxymethoxy-methoxy-methyl-propylsilane is CCC[Si](C)(OC)OCOCC1(CC)COC1.
What is the InChIKey of (3-ethyloxetan-3-yl)methoxymethoxy-methoxy-methyl-propylsilane?
The InChIKey is QNRXHHVJJMUZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-5-7-17(4,13-3)16-11-15-10-12(6-2)8-14-9-12/h5-11H2,1-4H3.
What are the key properties of (3-ethyloxetan-3-yl)methoxymethoxy-methoxy-methyl-propylsilane?
(3-ethyloxetan-3-yl)methoxymethoxy-methoxy-methyl-propylsilane has a molecular weight of 262.42 g/mol, XLogP of 2.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyloxetan-3-yl)methoxymethoxy-methoxy-methyl-propylsilane is sourced from PubChem (CID 154218652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).