trimethoxy-[1-methoxy-1-(3-methyloxetan-3-yl)butyl]silane

C12H26O5Si — CID 23440428

IUPACtrimethoxy-[1-methoxy-1-(3-methyloxetan-3-yl)butyl]silane
SMILESCCCC(OC)(C1(C)COC1)[Si](OC)(OC)OC
InChIInChI=1S/C12H26O5Si/c1-7-8-12(13-3,11(2)9-17-10-11)18(14-4,15-5)16-6/h7-10H2,1-6H3
InChIKeyMDCBHBRMOYOXHL-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.63
Rot. Bonds8

About trimethoxy-[1-methoxy-1-(3-methyloxetan-3-yl)butyl]silane

trimethoxy-[1-methoxy-1-(3-methyloxetan-3-yl)butyl]silane (PubChem CID 23440428) has the molecular formula C12H26O5Si and a molecular weight of 278.42 g/mol. Its IUPAC name is trimethoxy-[1-methoxy-1-(3-methyloxetan-3-yl)butyl]silane.

Molecular Properties

Compound Nametrimethoxy-[1-methoxy-1-(3-methyloxetan-3-yl)butyl]silane
PubChem CID23440428
Molecular FormulaC12H26O5Si
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Nametrimethoxy-[1-methoxy-1-(3-methyloxetan-3-yl)butyl]silane
SMILESCCCC(OC)(C1(C)COC1)[Si](OC)(OC)OC
InChIInChI=1S/C12H26O5Si/c1-7-8-12(13-3,11(2)9-17-10-11)18(14-4,15-5)16-6/h7-10H2,1-6H3
InChIKeyMDCBHBRMOYOXHL-UHFFFAOYSA-N
XLogP1.63
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.63
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 trimethoxy-[1-methoxy-1-(3-methyloxetan-3-yl)butyl]silane?
The IUPAC name of trimethoxy-[1-methoxy-1-(3-methyloxetan-3-yl)butyl]silane (CID 23440428) is trimethoxy-[1-methoxy-1-(3-methyloxetan-3-yl)butyl]silane.
What is the SMILES notation for trimethoxy-[1-methoxy-1-(3-methyloxetan-3-yl)butyl]silane?
The canonical SMILES for trimethoxy-[1-methoxy-1-(3-methyloxetan-3-yl)butyl]silane is CCCC(OC)(C1(C)COC1)[Si](OC)(OC)OC.
What is the InChIKey of trimethoxy-[1-methoxy-1-(3-methyloxetan-3-yl)butyl]silane?
The InChIKey is MDCBHBRMOYOXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si/c1-7-8-12(13-3,11(2)9-17-10-11)18(14-4,15-5)16-6/h7-10H2,1-6H3.
What are the key properties of trimethoxy-[1-methoxy-1-(3-methyloxetan-3-yl)butyl]silane?
trimethoxy-[1-methoxy-1-(3-methyloxetan-3-yl)butyl]silane has a molecular weight of 278.42 g/mol, XLogP of 1.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[1-methoxy-1-(3-methyloxetan-3-yl)butyl]silane is sourced from PubChem (CID 23440428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).