2-decan-2-yl-2-[3-(oxiran-2-ylmethoxy)propyl]oxasilinane

C20H40O3Si — CID 18939240

IUPAC2-decan-2-yl-2-[3-(oxiran-2-ylmethoxy)propyl]oxasilinane
SMILESCCCCCCCCC(C)[Si]1(CCCOCC2CO2)CCCCO1
InChIInChI=1S/C20H40O3Si/c1-3-4-5-6-7-8-12-19(2)24(15-10-9-14-23-24)16-11-13-21-17-20-18-22-20/h19-20H,3-18H2,1-2H3
InChIKeyKTVBSPGURYUDIG-UHFFFAOYSA-N
MW356.62 g/mol
LogP5.69
Rot. Bonds14

About 2-decan-2-yl-2-[3-(oxiran-2-ylmethoxy)propyl]oxasilinane

2-decan-2-yl-2-[3-(oxiran-2-ylmethoxy)propyl]oxasilinane (PubChem CID 18939240) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is 2-decan-2-yl-2-[3-(oxiran-2-ylmethoxy)propyl]oxasilinane.

Molecular Properties

Compound Name2-decan-2-yl-2-[3-(oxiran-2-ylmethoxy)propyl]oxasilinane
PubChem CID18939240
Molecular FormulaC20H40O3Si
Molecular Weight356.62 g/mol
Exact Mass356.27
IUPAC Name2-decan-2-yl-2-[3-(oxiran-2-ylmethoxy)propyl]oxasilinane
SMILESCCCCCCCCC(C)[Si]1(CCCOCC2CO2)CCCCO1
InChIInChI=1S/C20H40O3Si/c1-3-4-5-6-7-8-12-19(2)24(15-10-9-14-23-24)16-11-13-21-17-20-18-22-20/h19-20H,3-18H2,1-2H3
InChIKeyKTVBSPGURYUDIG-UHFFFAOYSA-N
XLogP5.69
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-decan-2-yl-2-[3-(oxiran-2-ylmethoxy)propyl]oxasilinane?
The IUPAC name of 2-decan-2-yl-2-[3-(oxiran-2-ylmethoxy)propyl]oxasilinane (CID 18939240) is 2-decan-2-yl-2-[3-(oxiran-2-ylmethoxy)propyl]oxasilinane.
What is the SMILES notation for 2-decan-2-yl-2-[3-(oxiran-2-ylmethoxy)propyl]oxasilinane?
The canonical SMILES for 2-decan-2-yl-2-[3-(oxiran-2-ylmethoxy)propyl]oxasilinane is CCCCCCCCC(C)[Si]1(CCCOCC2CO2)CCCCO1.
What is the InChIKey of 2-decan-2-yl-2-[3-(oxiran-2-ylmethoxy)propyl]oxasilinane?
The InChIKey is KTVBSPGURYUDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3Si/c1-3-4-5-6-7-8-12-19(2)24(15-10-9-14-23-24)16-11-13-21-17-20-18-22-20/h19-20H,3-18H2,1-2H3.
What are the key properties of 2-decan-2-yl-2-[3-(oxiran-2-ylmethoxy)propyl]oxasilinane?
2-decan-2-yl-2-[3-(oxiran-2-ylmethoxy)propyl]oxasilinane has a molecular weight of 356.62 g/mol, XLogP of 5.69, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decan-2-yl-2-[3-(oxiran-2-ylmethoxy)propyl]oxasilinane is sourced from PubChem (CID 18939240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).