2-methylazetidine;1,1,2-trimethoxy-2-methyl-3-propylsilinane

C16H35NO3Si — CID 174378342

IUPAC2-methylazetidine;1,1,2-trimethoxy-2-methyl-3-propylsilinane
SMILESCC1CCN1.CCCC1CCC[Si](OC)(OC)C1(C)OC
InChIInChI=1S/C12H26O3Si.C4H9N/c1-6-8-11-9-7-10-16(14-4,15-5)12(11,2)13-3;1-4-2-3-5-4/h11H,6-10H2,1-5H3;4-5H,2-3H2,1H3
InChIKeyAOIVLKCGQYAUGN-UHFFFAOYSA-N
MW317.55 g/mol
LogP3.24
Rot. Bonds5

About 2-methylazetidine;1,1,2-trimethoxy-2-methyl-3-propylsilinane

2-methylazetidine;1,1,2-trimethoxy-2-methyl-3-propylsilinane (PubChem CID 174378342) has the molecular formula C16H35NO3Si and a molecular weight of 317.55 g/mol. Its IUPAC name is 2-methylazetidine;1,1,2-trimethoxy-2-methyl-3-propylsilinane.

Molecular Properties

Compound Name2-methylazetidine;1,1,2-trimethoxy-2-methyl-3-propylsilinane
PubChem CID174378342
Molecular FormulaC16H35NO3Si
Molecular Weight317.55 g/mol
Exact Mass317.24
IUPAC Name2-methylazetidine;1,1,2-trimethoxy-2-methyl-3-propylsilinane
SMILESCC1CCN1.CCCC1CCC[Si](OC)(OC)C1(C)OC
InChIInChI=1S/C12H26O3Si.C4H9N/c1-6-8-11-9-7-10-16(14-4,15-5)12(11,2)13-3;1-4-2-3-5-4/h11H,6-10H2,1-5H3;4-5H,2-3H2,1H3
InChIKeyAOIVLKCGQYAUGN-UHFFFAOYSA-N
XLogP3.24
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1,1,2-trimethoxy-2-propylsilinane;N-propan-2-ylpropan-2-amine
CID 174649005
N-ethyl-1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propan-1-amine
CID 174892298

Frequently Asked Questions

What is the IUPAC name of 2-methylazetidine;1,1,2-trimethoxy-2-methyl-3-propylsilinane?
The IUPAC name of 2-methylazetidine;1,1,2-trimethoxy-2-methyl-3-propylsilinane (CID 174378342) is 2-methylazetidine;1,1,2-trimethoxy-2-methyl-3-propylsilinane.
What is the SMILES notation for 2-methylazetidine;1,1,2-trimethoxy-2-methyl-3-propylsilinane?
The canonical SMILES for 2-methylazetidine;1,1,2-trimethoxy-2-methyl-3-propylsilinane is CC1CCN1.CCCC1CCC[Si](OC)(OC)C1(C)OC.
What is the InChIKey of 2-methylazetidine;1,1,2-trimethoxy-2-methyl-3-propylsilinane?
The InChIKey is AOIVLKCGQYAUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si.C4H9N/c1-6-8-11-9-7-10-16(14-4,15-5)12(11,2)13-3;1-4-2-3-5-4/h11H,6-10H2,1-5H3;4-5H,2-3H2,1H3.
What are the key properties of 2-methylazetidine;1,1,2-trimethoxy-2-methyl-3-propylsilinane?
2-methylazetidine;1,1,2-trimethoxy-2-methyl-3-propylsilinane has a molecular weight of 317.55 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylazetidine;1,1,2-trimethoxy-2-methyl-3-propylsilinane is sourced from PubChem (CID 174378342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).