1-[1-[2-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-hydroxyethyl]cyclopropan-1-ol

C18H30O3Si — CID 10980218

IUPAC1-[1-[2-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-hydroxyethyl]cyclopropan-1-ol
SMILESCc1ccc(C(C)(O)C2(O)CC2)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C18H30O3Si/c1-13-8-9-14(17(5,19)18(20)10-11-18)15(12-13)21-22(6,7)16(2,3)4/h8-9,12,19-20H,10-11H2,1-7H3
InChIKeyKPLWUBIZAYPJSW-UHFFFAOYSA-N
MW322.52 g/mol
LogP4.11
Rot. Bonds4

About 1-[1-[2-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-hydroxyethyl]cyclopropan-1-ol

1-[1-[2-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-hydroxyethyl]cyclopropan-1-ol (PubChem CID 10980218) has the molecular formula C18H30O3Si and a molecular weight of 322.52 g/mol. Its IUPAC name is 1-[1-[2-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-hydroxyethyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[1-[2-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-hydroxyethyl]cyclopropan-1-ol
PubChem CID10980218
Molecular FormulaC18H30O3Si
Molecular Weight322.52 g/mol
Exact Mass322.20
IUPAC Name1-[1-[2-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-hydroxyethyl]cyclopropan-1-ol
SMILESCc1ccc(C(C)(O)C2(O)CC2)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C18H30O3Si/c1-13-8-9-14(17(5,19)18(20)10-11-18)15(12-13)21-22(6,7)16(2,3)4/h8-9,12,19-20H,10-11H2,1-7H3
InChIKeyKPLWUBIZAYPJSW-UHFFFAOYSA-N
XLogP4.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-2-(hydroxymethyl)cyclobutan-1-one
CID 10245479
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266
4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline
CID 141428127
2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826
tert-butyl-(2,4-difluorophenoxy)-dimethylsilane
CID 14811687
6-[tert-butyl(dimethyl)silyl]oxy-3,13-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
CID 59095647
[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]methanol
CID 139943085
3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol
CID 58833573
ethyl 4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-hydroxycyclohexane-1-carboxylate
CID 54205606
2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol
CID 167719618
4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline
CID 167731029
tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane
CID 15399749

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-hydroxyethyl]cyclopropan-1-ol?
The IUPAC name of 1-[1-[2-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-hydroxyethyl]cyclopropan-1-ol (CID 10980218) is 1-[1-[2-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-hydroxyethyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[1-[2-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-hydroxyethyl]cyclopropan-1-ol?
The canonical SMILES for 1-[1-[2-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-hydroxyethyl]cyclopropan-1-ol is Cc1ccc(C(C)(O)C2(O)CC2)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 1-[1-[2-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-hydroxyethyl]cyclopropan-1-ol?
The InChIKey is KPLWUBIZAYPJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3Si/c1-13-8-9-14(17(5,19)18(20)10-11-18)15(12-13)21-22(6,7)16(2,3)4/h8-9,12,19-20H,10-11H2,1-7H3.
What are the key properties of 1-[1-[2-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-hydroxyethyl]cyclopropan-1-ol?
1-[1-[2-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-hydroxyethyl]cyclopropan-1-ol has a molecular weight of 322.52 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-1-hydroxyethyl]cyclopropan-1-ol is sourced from PubChem (CID 10980218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).