Benzoic acid--(dimethylsilyl)methanol (1/1)

C10H15O3Si — CID 86245647

IUPAC—
SMILESC[Si](C)CO.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C3H9OSi/c8-7(9)6-4-2-1-3-5-6;1-5(2)3-4/h1-5H,(H,8,9);4H,3H2,1-2H3
InChIKeyRLMFUCOWWDGRQR-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.66
Rot. Bonds2

About Benzoic acid--(dimethylsilyl)methanol (1/1)

Benzoic acid--(dimethylsilyl)methanol (1/1) (PubChem CID 86245647) has the molecular formula C10H15O3Si and a molecular weight of 211.31 g/mol.

Molecular Properties

Compound NameBenzoic acid--(dimethylsilyl)methanol (1/1)
PubChem CID86245647
Molecular FormulaC10H15O3Si
Molecular Weight211.31 g/mol
Exact Mass211.08
IUPAC Name—
SMILESC[Si](C)CO.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C3H9OSi/c8-7(9)6-4-2-1-3-5-6;1-5(2)3-4/h1-5H,(H,8,9);4H,3H2,1-2H3
InChIKeyRLMFUCOWWDGRQR-UHFFFAOYSA-N
XLogP1.66
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 162272407
Lithium benzoate, 99%
CID 57451198

Frequently Asked Questions

What is the IUPAC name of Benzoic acid--(dimethylsilyl)methanol (1/1)?
The IUPAC name of Benzoic acid--(dimethylsilyl)methanol (1/1) (CID 86245647) is not available.
What is the SMILES notation for Benzoic acid--(dimethylsilyl)methanol (1/1)?
The canonical SMILES for Benzoic acid--(dimethylsilyl)methanol (1/1) is C[Si](C)CO.O=C(O)c1ccccc1.
What is the InChIKey of Benzoic acid--(dimethylsilyl)methanol (1/1)?
The InChIKey is RLMFUCOWWDGRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C3H9OSi/c8-7(9)6-4-2-1-3-5-6;1-5(2)3-4/h1-5H,(H,8,9);4H,3H2,1-2H3.
What are the key properties of Benzoic acid--(dimethylsilyl)methanol (1/1)?
Benzoic acid--(dimethylsilyl)methanol (1/1) has a molecular weight of 211.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Benzoic acid--(dimethylsilyl)methanol (1/1) is sourced from PubChem (CID 86245647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).