CID 58013840

C12H23BO2Si — CID 58013840

IUPAC—
SMILES[B]C1OC(=C)C(O[Si](C)(C)C(C)(C)C)C1C
InChIInChI=1S/C12H23BO2Si/c1-8-10(9(2)14-11(8)13)15-16(6,7)12(3,4)5/h8,10-11H,2H2,1,3-7H3
InChIKeyHFZNCLDTBZPKFQ-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.05
Rot. Bonds2

About CID 58013840

CID 58013840 (PubChem CID 58013840) has the molecular formula C12H23BO2Si and a molecular weight of 238.21 g/mol.

Molecular Properties

Compound NameCID 58013840
PubChem CID58013840
Molecular FormulaC12H23BO2Si
Molecular Weight238.21 g/mol
Exact Mass238.16
IUPAC Name—
SMILES[B]C1OC(=C)C(O[Si](C)(C)C(C)(C)C)C1C
InChIInChI=1S/C12H23BO2Si/c1-8-10(9(2)14-11(8)13)15-16(6,7)12(3,4)5/h8,10-11H,2H2,1,3-7H3
InChIKeyHFZNCLDTBZPKFQ-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 CID 58013840?
The IUPAC name of CID 58013840 (CID 58013840) is not available.
What is the SMILES notation for CID 58013840?
The canonical SMILES for CID 58013840 is [B]C1OC(=C)C(O[Si](C)(C)C(C)(C)C)C1C.
What is the InChIKey of CID 58013840?
The InChIKey is HFZNCLDTBZPKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BO2Si/c1-8-10(9(2)14-11(8)13)15-16(6,7)12(3,4)5/h8,10-11H,2H2,1,3-7H3.
What are the key properties of CID 58013840?
CID 58013840 has a molecular weight of 238.21 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58013840 is sourced from PubChem (CID 58013840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).