[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohexen-1-yl]methanol

C17H34O2Si — CID 11822659

IUPAC[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohexen-1-yl]methanol
SMILESCC1=C(CO)C(C)(C)C(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H34O2Si/c1-13-9-10-14(17(5,6)15(13)11-18)12-19-20(7,8)16(2,3)4/h14,18H,9-12H2,1-8H3
InChIKeyZWUYXTUSOFTIJC-UHFFFAOYSA-N
MW298.54 g/mol
LogP4.75
Rot. Bonds4

About [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohexen-1-yl]methanol

[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohexen-1-yl]methanol (PubChem CID 11822659) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohexen-1-yl]methanol.

Molecular Properties

Compound Name[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohexen-1-yl]methanol
PubChem CID11822659
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohexen-1-yl]methanol
SMILESCC1=C(CO)C(C)(C)C(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H34O2Si/c1-13-9-10-14(17(5,6)15(13)11-18)12-19-20(7,8)16(2,3)4/h14,18H,9-12H2,1-8H3
InChIKeyZWUYXTUSOFTIJC-UHFFFAOYSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-((1R,2R,3R)-2-((tert-butyldimethylsilyloxy)methyl)-2,3-dimethyl-6-(propan-2-ylidene)cyclohexyl)ethanol
CID 102518990
4-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-ol
CID 134835026
(3R,4S,5R,6S)-5-butyl-6-methyl-3-tri(propan-2-yl)silyloxy-2,3,4,5,6,7-hexahydro-1H-inden-4-ol
CID 135014172
(1S,5R,7aS)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-7a-methyl-1-propan-2-yl-1,2,3,5,6,7-hexahydroinden-5-ol
CID 162414441
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]methanol
CID 10541081
2-[(1R,2S,6R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]ethanol
CID 45102243
[3-({[Tri(propan-2-yl)silyl]oxy}methyl)cyclohex-3-en-1-yl]methanol
CID 59735469
3-[15-[Tert-butyl(dimethyl)silyl]oxypentadecyl]-2,4,4-trimethylcyclohex-2-en-1-ol
CID 169061269
[5-Tert-butyl-2-(dimethylsilyloxymethyl)cyclopenten-1-yl]methanol
CID 173298698
5-[hydroxy(dimethyl)silyl]-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-5-methylhexan-2-ol
CID 173695391
[3-[Tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]methanol
CID 173718730
(1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol
CID 11033877

Frequently Asked Questions

What is the IUPAC name of [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohexen-1-yl]methanol?
The IUPAC name of [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohexen-1-yl]methanol (CID 11822659) is [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohexen-1-yl]methanol.
What is the SMILES notation for [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohexen-1-yl]methanol?
The canonical SMILES for [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohexen-1-yl]methanol is CC1=C(CO)C(C)(C)C(CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohexen-1-yl]methanol?
The InChIKey is ZWUYXTUSOFTIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-13-9-10-14(17(5,6)15(13)11-18)12-19-20(7,8)16(2,3)4/h14,18H,9-12H2,1-8H3.
What are the key properties of [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohexen-1-yl]methanol?
[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohexen-1-yl]methanol has a molecular weight of 298.54 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohexen-1-yl]methanol is sourced from PubChem (CID 11822659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).