tert-butyl-dimethyl-(oxiran-2-ylmethyl)silane

C9H20OSi — CID 54423325

IUPACtert-butyl-dimethyl-(oxiran-2-ylmethyl)silane
SMILESCC(C)(C)[Si](C)(C)CC1CO1
InChIInChI=1S/C9H20OSi/c1-9(2,3)11(4,5)7-8-6-10-8/h8H,6-7H2,1-5H3
InChIKeyLHKHIDDBYGJLRA-UHFFFAOYSA-N
MW172.34 g/mol
LogP2.89
Rot. Bonds2

About tert-butyl-dimethyl-(oxiran-2-ylmethyl)silane

tert-butyl-dimethyl-(oxiran-2-ylmethyl)silane (PubChem CID 54423325) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is tert-butyl-dimethyl-(oxiran-2-ylmethyl)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(oxiran-2-ylmethyl)silane
PubChem CID54423325
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Nametert-butyl-dimethyl-(oxiran-2-ylmethyl)silane
SMILESCC(C)(C)[Si](C)(C)CC1CO1
InChIInChI=1S/C9H20OSi/c1-9(2,3)11(4,5)7-8-6-10-8/h8H,6-7H2,1-5H3
InChIKeyLHKHIDDBYGJLRA-UHFFFAOYSA-N
XLogP2.89
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-Butanol, tert-butyldimethylsilyl ether
CID 14897891
Silane, (1,1-dimethylethyl)dimethyl(1-methylethoxy)-
CID 15696081
Trimethyl-(3-propan-2-yloxiran-2-yl)silane
CID 12956571
1-t-Butyldimethylsiloxycyclopropane
CID 86099219
Butan-2-yloxymethyl(trimethyl)silane
CID 554712
(2,3-Dimethyloxiran-2-yl)-tri(propan-2-yl)silane
CID 11009726
Oxiran-2-yl-tri(propan-2-yl)silane
CID 11074422
Trimethyl-(3-propyloxiran-2-yl)silane
CID 12614957
[(2R,3S)-3-tert-butyloxiran-2-yl]-trimethylsilane
CID 14433608
[(2R,3R)-3-tert-butyloxiran-2-yl]-trimethylsilane
CID 14433609
(3,3-Dimethyloxiran-2-yl)-tri(propan-2-yl)silane
CID 85736923
Trimethyl-(3-methyl-2-trimethylsilyloxiran-2-yl)silane
CID 85928275

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(oxiran-2-ylmethyl)silane?
The IUPAC name of tert-butyl-dimethyl-(oxiran-2-ylmethyl)silane (CID 54423325) is tert-butyl-dimethyl-(oxiran-2-ylmethyl)silane.
What is the SMILES notation for tert-butyl-dimethyl-(oxiran-2-ylmethyl)silane?
The canonical SMILES for tert-butyl-dimethyl-(oxiran-2-ylmethyl)silane is CC(C)(C)[Si](C)(C)CC1CO1.
What is the InChIKey of tert-butyl-dimethyl-(oxiran-2-ylmethyl)silane?
The InChIKey is LHKHIDDBYGJLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-9(2,3)11(4,5)7-8-6-10-8/h8H,6-7H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(oxiran-2-ylmethyl)silane?
tert-butyl-dimethyl-(oxiran-2-ylmethyl)silane has a molecular weight of 172.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(oxiran-2-ylmethyl)silane is sourced from PubChem (CID 54423325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).