2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane

C19H38O4Si — CID 174976602

IUPAC2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane
SMILESCCOC1(CCCCC2OC2CC)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C19H38O4Si/c1-5-17-18(23-17)13-9-10-14-19(20-6-2)15-11-12-16-24(19,21-7-3)22-8-4/h17-18H,5-16H2,1-4H3
InChIKeyLCUIXQMWIFJPDM-UHFFFAOYSA-N
MW358.60 g/mol
LogP4.74
Rot. Bonds12

About 2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane

2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane (PubChem CID 174976602) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is 2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane.

Molecular Properties

Compound Name2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane
PubChem CID174976602
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Name2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane
SMILESCCOC1(CCCCC2OC2CC)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C19H38O4Si/c1-5-17-18(23-17)13-9-10-14-19(20-6-2)15-11-12-16-24(19,21-7-3)22-8-4/h17-18H,5-16H2,1-4H3
InChIKeyLCUIXQMWIFJPDM-UHFFFAOYSA-N
XLogP4.74
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine
CID 174522138
propanoic acid;1,1,2-triethoxy-2-ethylsilinane
CID 174783066
toluene;1,1,2-triethoxy-2-ethylsilinane
CID 174816258
(1,1,2-triethoxysilinan-2-yl)methyl acetate
CID 174525349
phenanthrene;1,1,2-triethoxy-2-ethylsilinane
CID 174932363
phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane
CID 174609072
1,1,2,2-tetraethoxysilinane
CID 174248265
4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane
CID 174706087
2-decyl-1,1,2-triethoxysilinane;1-fluoro-1,2,3,4-tetrahydrochrysene
CID 174391198
4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane
CID 174609070
2-cyclopropyl-1,1,2-triethoxysilinane
CID 174341764
N-methylprop-2-enamide;1,1,2-triethoxy-2-ethylsilinane
CID 174864706

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane?
The IUPAC name of 2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane (CID 174976602) is 2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane.
What is the SMILES notation for 2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane?
The canonical SMILES for 2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane is CCOC1(CCCCC2OC2CC)CCCC[Si]1(OCC)OCC.
What is the InChIKey of 2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane?
The InChIKey is LCUIXQMWIFJPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-5-17-18(23-17)13-9-10-14-19(20-6-2)15-11-12-16-24(19,21-7-3)22-8-4/h17-18H,5-16H2,1-4H3.
What are the key properties of 2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane?
2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane has a molecular weight of 358.60 g/mol, XLogP of 4.74, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane is sourced from PubChem (CID 174976602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).