(3-butyloxiran-2-yl)-trimethoxysilane

C9H20O4Si — CID 57184930

IUPAC(3-butyloxiran-2-yl)-trimethoxysilane
SMILESCCCCC1OC1[Si](OC)(OC)OC
InChIInChI=1S/C9H20O4Si/c1-5-6-7-8-9(13-8)14(10-2,11-3)12-4/h8-9H,5-7H2,1-4H3
InChIKeyYBSCKLBEQCCXQE-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.36
Rot. Bonds7

About (3-butyloxiran-2-yl)-trimethoxysilane

(3-butyloxiran-2-yl)-trimethoxysilane (PubChem CID 57184930) has the molecular formula C9H20O4Si and a molecular weight of 220.34 g/mol. Its IUPAC name is (3-butyloxiran-2-yl)-trimethoxysilane.

Molecular Properties

Compound Name(3-butyloxiran-2-yl)-trimethoxysilane
PubChem CID57184930
Molecular FormulaC9H20O4Si
Molecular Weight220.34 g/mol
Exact Mass220.11
IUPAC Name(3-butyloxiran-2-yl)-trimethoxysilane
SMILESCCCCC1OC1[Si](OC)(OC)OC
InChIInChI=1S/C9H20O4Si/c1-5-6-7-8-9(13-8)14(10-2,11-3)12-4/h8-9H,5-7H2,1-4H3
InChIKeyYBSCKLBEQCCXQE-UHFFFAOYSA-N
XLogP1.36
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(2S,3S)-3-pentyloxiran-2-yl]silane
CID 14216563
(2S,3R)-2-butyl-3-(methoxymethyl)oxirane
CID 15326198
(2R,3S)-2-butyl-3-propyloxirane
CID 13394975
2-butyl-3-undecyloxirane
CID 88518775
2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane
CID 56989250
methyl (2R,3S,6R)-2-butyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 11148550
(3S)-2-hexyl-3-methyloxirane
CID 22212703
(2S,3R)-2-methyl-3-nonyloxirane
CID 71399054
(3S)-2-heptyl-3-methyloxirane
CID 22212077
2-octyl-3-propan-2-yloxirane
CID 123177081
2-(methoxymethyl)-3-pentyloxirane
CID 18795099
2-heptyl-3-octyloxirane
CID 57269313

Frequently Asked Questions

What is the IUPAC name of (3-butyloxiran-2-yl)-trimethoxysilane?
The IUPAC name of (3-butyloxiran-2-yl)-trimethoxysilane (CID 57184930) is (3-butyloxiran-2-yl)-trimethoxysilane.
What is the SMILES notation for (3-butyloxiran-2-yl)-trimethoxysilane?
The canonical SMILES for (3-butyloxiran-2-yl)-trimethoxysilane is CCCCC1OC1[Si](OC)(OC)OC.
What is the InChIKey of (3-butyloxiran-2-yl)-trimethoxysilane?
The InChIKey is YBSCKLBEQCCXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4Si/c1-5-6-7-8-9(13-8)14(10-2,11-3)12-4/h8-9H,5-7H2,1-4H3.
What are the key properties of (3-butyloxiran-2-yl)-trimethoxysilane?
(3-butyloxiran-2-yl)-trimethoxysilane has a molecular weight of 220.34 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyloxiran-2-yl)-trimethoxysilane is sourced from PubChem (CID 57184930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).