3-chloro-1,1,2-trimethoxy-2-propylsilinane

C11H23ClO3Si — CID 174351373

IUPAC3-chloro-1,1,2-trimethoxy-2-propylsilinane
SMILESCCCC1(OC)C(Cl)CCC[Si]1(OC)OC
InChIInChI=1S/C11H23ClO3Si/c1-5-8-11(13-2)10(12)7-6-9-16(11,14-3)15-4/h10H,5-9H2,1-4H3
InChIKeyRAOHJUNEOFSADD-UHFFFAOYSA-N
MW266.84 g/mol
LogP2.85
Rot. Bonds5

About 3-chloro-1,1,2-trimethoxy-2-propylsilinane

3-chloro-1,1,2-trimethoxy-2-propylsilinane (PubChem CID 174351373) has the molecular formula C11H23ClO3Si and a molecular weight of 266.84 g/mol. Its IUPAC name is 3-chloro-1,1,2-trimethoxy-2-propylsilinane.

Molecular Properties

Compound Name3-chloro-1,1,2-trimethoxy-2-propylsilinane
PubChem CID174351373
Molecular FormulaC11H23ClO3Si
Molecular Weight266.84 g/mol
Exact Mass266.11
IUPAC Name3-chloro-1,1,2-trimethoxy-2-propylsilinane
SMILESCCCC1(OC)C(Cl)CCC[Si]1(OC)OC
InChIInChI=1S/C11H23ClO3Si/c1-5-8-11(13-2)10(12)7-6-9-16(11,14-3)15-4/h10H,5-9H2,1-4H3
InChIKeyRAOHJUNEOFSADD-UHFFFAOYSA-N
XLogP2.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.84
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,1,2-trimethoxy-2-propylsilinane?
The IUPAC name of 3-chloro-1,1,2-trimethoxy-2-propylsilinane (CID 174351373) is 3-chloro-1,1,2-trimethoxy-2-propylsilinane.
What is the SMILES notation for 3-chloro-1,1,2-trimethoxy-2-propylsilinane?
The canonical SMILES for 3-chloro-1,1,2-trimethoxy-2-propylsilinane is CCCC1(OC)C(Cl)CCC[Si]1(OC)OC.
What is the InChIKey of 3-chloro-1,1,2-trimethoxy-2-propylsilinane?
The InChIKey is RAOHJUNEOFSADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO3Si/c1-5-8-11(13-2)10(12)7-6-9-16(11,14-3)15-4/h10H,5-9H2,1-4H3.
What are the key properties of 3-chloro-1,1,2-trimethoxy-2-propylsilinane?
3-chloro-1,1,2-trimethoxy-2-propylsilinane has a molecular weight of 266.84 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1,2-trimethoxy-2-propylsilinane is sourced from PubChem (CID 174351373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).