1,3-benzodioxol-5-yl(trimethylsilyl)methanol

C11H16O3Si — CID 12705761

IUPAC1,3-benzodioxol-5-yl(trimethylsilyl)methanol
SMILESC[Si](C)(C)C(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H16O3Si/c1-15(2,3)11(12)8-4-5-9-10(6-8)14-7-13-9/h4-6,11-12H,7H2,1-3H3
InChIKeySYOUATGBWQPTMO-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.33
Rot. Bonds2

About 1,3-benzodioxol-5-yl(trimethylsilyl)methanol

1,3-benzodioxol-5-yl(trimethylsilyl)methanol (PubChem CID 12705761) has the molecular formula C11H16O3Si and a molecular weight of 224.33 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl(trimethylsilyl)methanol.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl(trimethylsilyl)methanol
PubChem CID12705761
Molecular FormulaC11H16O3Si
Molecular Weight224.33 g/mol
Exact Mass224.09
IUPAC Name1,3-benzodioxol-5-yl(trimethylsilyl)methanol
SMILESC[Si](C)(C)C(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H16O3Si/c1-15(2,3)11(12)8-4-5-9-10(6-8)14-7-13-9/h4-6,11-12H,7H2,1-3H3
InChIKeySYOUATGBWQPTMO-UHFFFAOYSA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720
1,3-benzodioxol-5-yl-[phenyl-bis(trimethylsilyl)silyl]methanol
CID 23583843
1,3-benzodioxol-5-yl(dimethylamino)methanol
CID 116909534
1,3-benzodioxol-5-yl(bromo)methanol
CID 141431420
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
(1S,2R)-2-amino-1-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93258024
1-(1,3-benzodioxol-5-yl)-2-bromopropan-1-ol
CID 12779709
1-(1,3-benzodioxol-5-yl)-N-methylethanamine
CID 6424509
(1S)-1-(1,3-benzodioxol-5-yl)-N-chloroethanamine
CID 118697739
1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol
CID 61082396
2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol
CID 29083160
1-[1-(1,3-benzodioxol-5-yl)ethylamino]propan-2-ol
CID 43499381

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl(trimethylsilyl)methanol?
The IUPAC name of 1,3-benzodioxol-5-yl(trimethylsilyl)methanol (CID 12705761) is 1,3-benzodioxol-5-yl(trimethylsilyl)methanol.
What is the SMILES notation for 1,3-benzodioxol-5-yl(trimethylsilyl)methanol?
The canonical SMILES for 1,3-benzodioxol-5-yl(trimethylsilyl)methanol is C[Si](C)(C)C(O)c1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-yl(trimethylsilyl)methanol?
The InChIKey is SYOUATGBWQPTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3Si/c1-15(2,3)11(12)8-4-5-9-10(6-8)14-7-13-9/h4-6,11-12H,7H2,1-3H3.
What are the key properties of 1,3-benzodioxol-5-yl(trimethylsilyl)methanol?
1,3-benzodioxol-5-yl(trimethylsilyl)methanol has a molecular weight of 224.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl(trimethylsilyl)methanol is sourced from PubChem (CID 12705761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).