4,5-diethyl-2,2,3-trimethyl-1,2,5-oxasilaborole

C9H19BOSi — CID 574206

IUPAC4,5-diethyl-2,2,3-trimethyl-1,2,5-oxasilaborole
SMILESCCB1O[Si](C)(C)C(C)=C1CC
InChIInChI=1S/C9H19BOSi/c1-6-9-8(3)12(4,5)11-10(9)7-2/h6-7H2,1-5H3
InChIKeyMPCXAIRSGBXHKP-UHFFFAOYSA-N
MW182.15 g/mol
LogP3.04
Rot. Bonds2

About 4,5-diethyl-2,2,3-trimethyl-1,2,5-oxasilaborole

4,5-diethyl-2,2,3-trimethyl-1,2,5-oxasilaborole (PubChem CID 574206) has the molecular formula C9H19BOSi and a molecular weight of 182.15 g/mol. Its IUPAC name is 4,5-diethyl-2,2,3-trimethyl-1,2,5-oxasilaborole.

Molecular Properties

Compound Name4,5-diethyl-2,2,3-trimethyl-1,2,5-oxasilaborole
PubChem CID574206
Molecular FormulaC9H19BOSi
Molecular Weight182.15 g/mol
Exact Mass182.13
IUPAC Name4,5-diethyl-2,2,3-trimethyl-1,2,5-oxasilaborole
SMILESCCB1O[Si](C)(C)C(C)=C1CC
InChIInChI=1S/C9H19BOSi/c1-6-9-8(3)12(4,5)11-10(9)7-2/h6-7H2,1-5H3
InChIKeyMPCXAIRSGBXHKP-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Pentene, 3-diethylboryl-2-trimethylsilyl-
CID 5366484
3-Hexene, 3-diethylboryl-4-trimethylsilyl-
CID 5366485
[(E)-3-diethylboranylpent-2-en-2-yl]-ethyl-dimethylsilane
CID 14436714
2-(Dimethyl(methoxy)silyl)-3-(ethylmethoxyboryl)-2-pentene
CID 607907
5-Ethoxy-4-ethyl-2,5-dihydro-2,2,3-trimethyl-1,2,5-oxasilaborole
CID 13329734
4,5,5-Triethyl-2,2,3-trimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene
CID 14872838
2,4,5,5-Tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene
CID 14872843
CID 176440313
CID 176440313
CID 176440314
CID 176440314
1,2,5-Oxasilaborole, 5-tert-butyl-4-ethyl-2,2,3-trimethyl-2,5-dihydro-
CID 592787
1-Oxa-2-sila-5-boracyclopent-3-ene, 2,4,5-triethyl-2,3-dimethyl-
CID 597424
1-Selena-2-sila-5-boracyclopent-3-ene, 4,5-diethyl-2,2,3-trimethyl-
CID 608947

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-2,2,3-trimethyl-1,2,5-oxasilaborole?
The IUPAC name of 4,5-diethyl-2,2,3-trimethyl-1,2,5-oxasilaborole (CID 574206) is 4,5-diethyl-2,2,3-trimethyl-1,2,5-oxasilaborole.
What is the SMILES notation for 4,5-diethyl-2,2,3-trimethyl-1,2,5-oxasilaborole?
The canonical SMILES for 4,5-diethyl-2,2,3-trimethyl-1,2,5-oxasilaborole is CCB1O[Si](C)(C)C(C)=C1CC.
What is the InChIKey of 4,5-diethyl-2,2,3-trimethyl-1,2,5-oxasilaborole?
The InChIKey is MPCXAIRSGBXHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BOSi/c1-6-9-8(3)12(4,5)11-10(9)7-2/h6-7H2,1-5H3.
What are the key properties of 4,5-diethyl-2,2,3-trimethyl-1,2,5-oxasilaborole?
4,5-diethyl-2,2,3-trimethyl-1,2,5-oxasilaborole has a molecular weight of 182.15 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2,2,3-trimethyl-1,2,5-oxasilaborole is sourced from PubChem (CID 574206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).