[6-(3-trimethylsilylprop-1-ynyl)-1,3-benzodioxol-5-yl]methanol

C14H18O3Si — CID 166442917

IUPAC[6-(3-trimethylsilylprop-1-ynyl)-1,3-benzodioxol-5-yl]methanol
SMILESC[Si](C)(C)CC#Cc1cc2c(cc1CO)OCO2
InChIInChI=1S/C14H18O3Si/c1-18(2,3)6-4-5-11-7-13-14(17-10-16-13)8-12(11)9-15/h7-8,15H,6,9-10H2,1-3H3
InChIKeySSWASJJXCYJJIR-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.60
Rot. Bonds2

About [6-(3-trimethylsilylprop-1-ynyl)-1,3-benzodioxol-5-yl]methanol

[6-(3-trimethylsilylprop-1-ynyl)-1,3-benzodioxol-5-yl]methanol (PubChem CID 166442917) has the molecular formula C14H18O3Si and a molecular weight of 262.38 g/mol. Its IUPAC name is [6-(3-trimethylsilylprop-1-ynyl)-1,3-benzodioxol-5-yl]methanol.

Molecular Properties

Compound Name[6-(3-trimethylsilylprop-1-ynyl)-1,3-benzodioxol-5-yl]methanol
PubChem CID166442917
Molecular FormulaC14H18O3Si
Molecular Weight262.38 g/mol
Exact Mass262.10
IUPAC Name[6-(3-trimethylsilylprop-1-ynyl)-1,3-benzodioxol-5-yl]methanol
SMILESC[Si](C)(C)CC#Cc1cc2c(cc1CO)OCO2
InChIInChI=1S/C14H18O3Si/c1-18(2,3)6-4-5-11-7-13-14(17-10-16-13)8-12(11)9-15/h7-8,15H,6,9-10H2,1-3H3
InChIKeySSWASJJXCYJJIR-UHFFFAOYSA-N
XLogP2.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromobut-1-ynyl)-6-(3-bromoprop-1-ynyl)-1,3-benzodioxole
CID 170457212
methane;(6-nitro-1,3-benzodioxol-5-yl)methanol
CID 67840486
4-(6-formyl-1,3-benzodioxol-5-yl)but-3-ynamide
CID 170473770
1-(6-hex-1-ynyl-1,3-benzodioxol-5-yl)ethanone
CID 134884648
(NE)-N-[[6-(2-trimethylsilylethynyl)-1,3-benzodioxol-5-yl]methylidene]hydroxylamine
CID 11821383
3-(1,3-benzodioxol-5-yl)prop-2-yn-1-ol
CID 11137646
[6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol
CID 55013005
ethane;5-(6-methoxy-1,3-benzodioxol-5-yl)pent-4-yn-1-ol;N-methylpropan-1-amine
CID 143720768
[6-(2-methylidenebutoxy)-1,3-benzodioxol-5-yl]methanol
CID 66045725
5-(3-bromoprop-1-ynyl)-6-[2-(4-methoxyphenyl)ethynyl]-1,3-benzodioxole
CID 170457210
6-amino-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 103543416
4-bromo-6-(hydroxymethyl)-1,3-benzodioxol-5-ol
CID 84705938

Frequently Asked Questions

What is the IUPAC name of [6-(3-trimethylsilylprop-1-ynyl)-1,3-benzodioxol-5-yl]methanol?
The IUPAC name of [6-(3-trimethylsilylprop-1-ynyl)-1,3-benzodioxol-5-yl]methanol (CID 166442917) is [6-(3-trimethylsilylprop-1-ynyl)-1,3-benzodioxol-5-yl]methanol.
What is the SMILES notation for [6-(3-trimethylsilylprop-1-ynyl)-1,3-benzodioxol-5-yl]methanol?
The canonical SMILES for [6-(3-trimethylsilylprop-1-ynyl)-1,3-benzodioxol-5-yl]methanol is C[Si](C)(C)CC#Cc1cc2c(cc1CO)OCO2.
What is the InChIKey of [6-(3-trimethylsilylprop-1-ynyl)-1,3-benzodioxol-5-yl]methanol?
The InChIKey is SSWASJJXCYJJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3Si/c1-18(2,3)6-4-5-11-7-13-14(17-10-16-13)8-12(11)9-15/h7-8,15H,6,9-10H2,1-3H3.
What are the key properties of [6-(3-trimethylsilylprop-1-ynyl)-1,3-benzodioxol-5-yl]methanol?
[6-(3-trimethylsilylprop-1-ynyl)-1,3-benzodioxol-5-yl]methanol has a molecular weight of 262.38 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-trimethylsilylprop-1-ynyl)-1,3-benzodioxol-5-yl]methanol is sourced from PubChem (CID 166442917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).