2,4,5,5-tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene

C12H26BOSi- — CID 14868957

IUPAC2,4,5,5-tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene
SMILESCCC1=C(C)[Si](C)(CC)O[B-]1(CC)CC
InChIInChI=1S/C12H26BOSi/c1-7-12-11(5)15(6,10-4)14-13(12,8-2)9-3/h7-10H2,1-6H3/q-1
InChIKeyOFTOLLDNOXYPKX-UHFFFAOYSA-N
MW225.24 g/mol
LogP4.40
Rot. Bonds4

About 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene

2,4,5,5-tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene (PubChem CID 14868957) has the molecular formula C12H26BOSi- and a molecular weight of 225.24 g/mol. Its IUPAC name is 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene.

Molecular Properties

Compound Name2,4,5,5-tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene
PubChem CID14868957
Molecular FormulaC12H26BOSi-
Molecular Weight225.24 g/mol
Exact Mass225.19
IUPAC Name2,4,5,5-tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene
SMILESCCC1=C(C)[Si](C)(CC)O[B-]1(CC)CC
InChIInChI=1S/C12H26BOSi/c1-7-12-11(5)15(6,10-4)14-13(12,8-2)9-3/h7-10H2,1-6H3/q-1
InChIKeyOFTOLLDNOXYPKX-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene?
The IUPAC name of 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene (CID 14868957) is 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene.
What is the SMILES notation for 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene?
The canonical SMILES for 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene is CCC1=C(C)[Si](C)(CC)O[B-]1(CC)CC.
What is the InChIKey of 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene?
The InChIKey is OFTOLLDNOXYPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26BOSi/c1-7-12-11(5)15(6,10-4)14-13(12,8-2)9-3/h7-10H2,1-6H3/q-1.
What are the key properties of 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene?
2,4,5,5-tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene has a molecular weight of 225.24 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene is sourced from PubChem (CID 14868957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).