(1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol

C17H34O2Si — CID 11033877

IUPAC(1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol
SMILESCC1=C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C(C)C)C[C@@H]1O
InChIInChI=1S/C17H34O2Si/c1-12(2)15-10-16(18)13(3)9-14(15)11-19-20(7,8)17(4,5)6/h9,12,14-16,18H,10-11H2,1-8H3/t14-,15-,16+/m1/s1
InChIKeyLESOTZZMAKEBTP-OAGGEKHMSA-N
MW298.54 g/mol
LogP4.61
Rot. Bonds4

About (1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol

(1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol (PubChem CID 11033877) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol
PubChem CID11033877
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol
SMILESCC1=C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C(C)C)C[C@@H]1O
InChIInChI=1S/C17H34O2Si/c1-12(2)15-10-16(18)13(3)9-14(15)11-19-20(7,8)17(4,5)6/h9,12,14-16,18H,10-11H2,1-8H3/t14-,15-,16+/m1/s1
InChIKeyLESOTZZMAKEBTP-OAGGEKHMSA-N
XLogP4.61
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 ≤ 54.61
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'}

Analyze (1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083
[3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane
CID 155744450
[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134930554
tert-butyl-dimethyl-[[(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methoxy]silane
CID 132558837
(1R,2S,3S,3aS,6S,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,5-dimethyl-3-tri(propan-2-yl)silyloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol
CID 11409672
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 69296261
(3aS,4S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol
CID 10402747
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(113C)methyl-5-oxo-2H-pyrrole-1-carboxylate
CID 10947872
tert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane
CID 177446377
tert-butyl-[[(1R,5R)-4,5-dimethylcyclopent-2-en-1-yl]methoxy]-dimethylsilane
CID 59483139
tert-butyl-[[(2R,6R)-2-[[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-2-yl]methyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]methoxy]-dimethylsilane
CID 134979961
(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-ol
CID 10767871

Frequently Asked Questions

What is the IUPAC name of (1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol (CID 11033877) is (1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol is CC1=C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C(C)C)C[C@@H]1O.
What is the InChIKey of (1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol?
The InChIKey is LESOTZZMAKEBTP-OAGGEKHMSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-12(2)15-10-16(18)13(3)9-14(15)11-19-20(7,8)17(4,5)6/h9,12,14-16,18H,10-11H2,1-8H3/t14-,15-,16+/m1/s1.
What are the key properties of (1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol?
(1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol has a molecular weight of 298.54 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 11033877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).