octadecane;1,1,2-triethoxy-2-ethylsilinane

C31H66O3Si — CID 174440455

IUPACoctadecane;1,1,2-triethoxy-2-ethylsilinane
SMILESCCCCCCCCCCCCCCCCCC.CCOC1(CC)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C18H38.C13H28O3Si/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4/h3-18H2,1-2H3;5-12H2,1-4H3
InChIKeyKPFMKYVNVGVCBL-UHFFFAOYSA-N
MW514.95 g/mol
LogP10.68
Rot. Bonds22

About octadecane;1,1,2-triethoxy-2-ethylsilinane

octadecane;1,1,2-triethoxy-2-ethylsilinane (PubChem CID 174440455) has the molecular formula C31H66O3Si and a molecular weight of 514.95 g/mol. Its IUPAC name is octadecane;1,1,2-triethoxy-2-ethylsilinane.

Molecular Properties

Compound Nameoctadecane;1,1,2-triethoxy-2-ethylsilinane
PubChem CID174440455
Molecular FormulaC31H66O3Si
Molecular Weight514.95 g/mol
Exact Mass514.48
IUPAC Nameoctadecane;1,1,2-triethoxy-2-ethylsilinane
SMILESCCCCCCCCCCCCCCCCCC.CCOC1(CC)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C18H38.C13H28O3Si/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4/h3-18H2,1-2H3;5-12H2,1-4H3
InChIKeyKPFMKYVNVGVCBL-UHFFFAOYSA-N
XLogP10.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.95
LogP ≤ 510.68
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'}

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Frequently Asked Questions

What is the IUPAC name of octadecane;1,1,2-triethoxy-2-ethylsilinane?
The IUPAC name of octadecane;1,1,2-triethoxy-2-ethylsilinane (CID 174440455) is octadecane;1,1,2-triethoxy-2-ethylsilinane.
What is the SMILES notation for octadecane;1,1,2-triethoxy-2-ethylsilinane?
The canonical SMILES for octadecane;1,1,2-triethoxy-2-ethylsilinane is CCCCCCCCCCCCCCCCCC.CCOC1(CC)CCCC[Si]1(OCC)OCC.
What is the InChIKey of octadecane;1,1,2-triethoxy-2-ethylsilinane?
The InChIKey is KPFMKYVNVGVCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38.C13H28O3Si/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4/h3-18H2,1-2H3;5-12H2,1-4H3.
What are the key properties of octadecane;1,1,2-triethoxy-2-ethylsilinane?
octadecane;1,1,2-triethoxy-2-ethylsilinane has a molecular weight of 514.95 g/mol, XLogP of 10.68, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octadecane;1,1,2-triethoxy-2-ethylsilinane is sourced from PubChem (CID 174440455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).