5-ethoxy-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole

C9H19BO2Si — CID 13329734

IUPAC5-ethoxy-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole
SMILESCCOB1O[Si](C)(C)C(C)=C1CC
InChIInChI=1S/C9H19BO2Si/c1-6-9-8(3)13(4,5)12-10(9)11-7-2/h6-7H2,1-5H3
InChIKeyFEZXUDWJPDAKNQ-UHFFFAOYSA-N
MW198.15 g/mol
LogP2.55
Rot. Bonds3

About 5-ethoxy-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole

5-ethoxy-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole (PubChem CID 13329734) has the molecular formula C9H19BO2Si and a molecular weight of 198.15 g/mol. Its IUPAC name is 5-ethoxy-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole.

Molecular Properties

Compound Name5-ethoxy-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole
PubChem CID13329734
Molecular FormulaC9H19BO2Si
Molecular Weight198.15 g/mol
Exact Mass198.12
IUPAC Name5-ethoxy-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole
SMILESCCOB1O[Si](C)(C)C(C)=C1CC
InChIInChI=1S/C9H19BO2Si/c1-6-9-8(3)13(4,5)12-10(9)11-7-2/h6-7H2,1-5H3
InChIKeyFEZXUDWJPDAKNQ-UHFFFAOYSA-N
XLogP2.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Oxa-2-sila-5-boracyclopent-3-ene, 4,5-diethyl-2,2,3-trimethyl-
CID 574206
2-Ethoxy-6-ethyl-4,4,5-trimethyl-4h-1,3,4,2-dioxasilaborine
CID 14024412
2-(Dimethyl(methoxy)silyl)-3-(ethylmethoxyboryl)-2-pentene
CID 607907
1-Oxa-2-sila-5-boracyclopent-3-ene, 2,4,5-triethyl-2,3-dimethyl-
CID 597424
1,6,2,5-Dioxasilabora-3-octene, 4,5-diethyl-2,2,3,7,8-pentamethyl-
CID 5371620
2-Pentene, 3-(methoxyethylboryl)-2-(methoxydimethylsilyl)-, (E)-
CID 5375555
(3E)-4,5-diethyl-2,2,3,7-tetramethyl-7,8-dihydro-1,6,2,5-dioxasilaborocine
CID 21609177
(3E)-4,5-diethyl-2,2,3,8-tetramethyl-7,8-dihydro-1,6,2,5-dioxasilaborocine
CID 21609178
1,10-Diethyl-8,8,9-trimethyl-2-oxa-7-oxonia-8-sila-1-boranuidabicyclo[5.3.0]dec-9-ene
CID 21609183
4,5,5-Triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene
CID 14868953
2,4,5,5-Tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene
CID 14868957
ethoxy-[(E)-3-[ethoxy(ethyl)boranyl]pent-2-en-2-yl]-dimethylsilane
CID 21609171

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole?
The IUPAC name of 5-ethoxy-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole (CID 13329734) is 5-ethoxy-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole.
What is the SMILES notation for 5-ethoxy-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole?
The canonical SMILES for 5-ethoxy-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole is CCOB1O[Si](C)(C)C(C)=C1CC.
What is the InChIKey of 5-ethoxy-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole?
The InChIKey is FEZXUDWJPDAKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO2Si/c1-6-9-8(3)13(4,5)12-10(9)11-7-2/h6-7H2,1-5H3.
What are the key properties of 5-ethoxy-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole?
5-ethoxy-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole has a molecular weight of 198.15 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-ethyl-2,2,3-trimethyl-1,2,5-oxasilaborole is sourced from PubChem (CID 13329734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).