3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane

C16H34O5Si — CID 174747798

IUPAC3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane
SMILESCC1COC1.CCCC1(OC)C(OC)CCC[Si]1(OC)OC
InChIInChI=1S/C12H26O4Si.C4H8O/c1-6-9-12(14-3)11(13-2)8-7-10-17(12,15-4)16-5;1-4-2-5-3-4/h11H,6-10H2,1-5H3;4H,2-3H2,1H3
InChIKeyVMBCEQVNZIYBGD-UHFFFAOYSA-N
MW334.53 g/mol
LogP2.91
Rot. Bonds6

About 3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane

3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane (PubChem CID 174747798) has the molecular formula C16H34O5Si and a molecular weight of 334.53 g/mol. Its IUPAC name is 3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane.

Molecular Properties

Compound Name3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane
PubChem CID174747798
Molecular FormulaC16H34O5Si
Molecular Weight334.53 g/mol
Exact Mass334.22
IUPAC Name3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane
SMILESCC1COC1.CCCC1(OC)C(OC)CCC[Si]1(OC)OC
InChIInChI=1S/C12H26O4Si.C4H8O/c1-6-9-12(14-3)11(13-2)8-7-10-17(12,15-4)16-5;1-4-2-5-3-4/h11H,6-10H2,1-5H3;4H,2-3H2,1H3
InChIKeyVMBCEQVNZIYBGD-UHFFFAOYSA-N
XLogP2.91
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane?
The IUPAC name of 3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane (CID 174747798) is 3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane.
What is the SMILES notation for 3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane?
The canonical SMILES for 3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane is CC1COC1.CCCC1(OC)C(OC)CCC[Si]1(OC)OC.
What is the InChIKey of 3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane?
The InChIKey is VMBCEQVNZIYBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si.C4H8O/c1-6-9-12(14-3)11(13-2)8-7-10-17(12,15-4)16-5;1-4-2-5-3-4/h11H,6-10H2,1-5H3;4H,2-3H2,1H3.
What are the key properties of 3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane?
3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane has a molecular weight of 334.53 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane is sourced from PubChem (CID 174747798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).