[2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol

C20H34O3Si — CID 156775392

IUPAC[2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol
SMILESCC(C)(C)[Si](C)(C)OC1CCCC(CO)(c2ccccc2CO)C1
InChIInChI=1S/C20H34O3Si/c1-19(2,3)24(4,5)23-17-10-8-12-20(13-17,15-22)18-11-7-6-9-16(18)14-21/h6-7,9,11,17,21-22H,8,10,12-15H2,1-5H3
InChIKeyZSGIBJNYMJUNNW-UHFFFAOYSA-N
MW350.58 g/mol
LogP4.37
Rot. Bonds5

About [2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol

[2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol (PubChem CID 156775392) has the molecular formula C20H34O3Si and a molecular weight of 350.58 g/mol. Its IUPAC name is [2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol
PubChem CID156775392
Molecular FormulaC20H34O3Si
Molecular Weight350.58 g/mol
Exact Mass350.23
IUPAC Name[2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol
SMILESCC(C)(C)[Si](C)(C)OC1CCCC(CO)(c2ccccc2CO)C1
InChIInChI=1S/C20H34O3Si/c1-19(2,3)24(4,5)23-17-10-8-12-20(13-17,15-22)18-11-7-6-9-16(18)14-21/h6-7,9,11,17,21-22H,8,10,12-15H2,1-5H3
InChIKeyZSGIBJNYMJUNNW-UHFFFAOYSA-N
XLogP4.37
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol?
The IUPAC name of [2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol (CID 156775392) is [2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol.
What is the SMILES notation for [2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol?
The canonical SMILES for [2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol is CC(C)(C)[Si](C)(C)OC1CCCC(CO)(c2ccccc2CO)C1.
What is the InChIKey of [2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol?
The InChIKey is ZSGIBJNYMJUNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3Si/c1-19(2,3)24(4,5)23-17-10-8-12-20(13-17,15-22)18-11-7-6-9-16(18)14-21/h6-7,9,11,17,21-22H,8,10,12-15H2,1-5H3.
What are the key properties of [2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol?
[2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol has a molecular weight of 350.58 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol is sourced from PubChem (CID 156775392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).