(R)-[(2S,3S)-3-(2-methylpropyl)oxiran-2-yl]-[(1R,2R)-4-methyl-2-triethylsilyloxycyclohex-3-en-1-yl]methanol

C20H38O3Si — CID 10904358

IUPAC(R)-[(2S,3S)-3-(2-methylpropyl)oxiran-2-yl]-[(1R,2R)-4-methyl-2-triethylsilyloxycyclohex-3-en-1-yl]methanol
SMILESCC[Si](CC)(CC)O[C@@H]1C=C(C)CC[C@@H]1[C@@H](O)[C@@H]1O[C@H]1CC(C)C
InChIInChI=1S/C20H38O3Si/c1-7-24(8-2,9-3)23-17-13-15(6)10-11-16(17)19(21)20-18(22-20)12-14(4)5/h13-14,16-21H,7-12H2,1-6H3/t16-,17+,18-,19+,20+/m0/s1
InChIKeyAWYVLISDKBRHGG-PXTPFGJHSA-N
MW354.61 g/mol
LogP4.91
Rot. Bonds9

About (R)-[(2S,3S)-3-(2-methylpropyl)oxiran-2-yl]-[(1R,2R)-4-methyl-2-triethylsilyloxycyclohex-3-en-1-yl]methanol

(R)-[(2S,3S)-3-(2-methylpropyl)oxiran-2-yl]-[(1R,2R)-4-methyl-2-triethylsilyloxycyclohex-3-en-1-yl]methanol (PubChem CID 10904358) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is (R)-[(2S,3S)-3-(2-methylpropyl)oxiran-2-yl]-[(1R,2R)-4-methyl-2-triethylsilyloxycyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name(R)-[(2S,3S)-3-(2-methylpropyl)oxiran-2-yl]-[(1R,2R)-4-methyl-2-triethylsilyloxycyclohex-3-en-1-yl]methanol
PubChem CID10904358
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name(R)-[(2S,3S)-3-(2-methylpropyl)oxiran-2-yl]-[(1R,2R)-4-methyl-2-triethylsilyloxycyclohex-3-en-1-yl]methanol
SMILESCC[Si](CC)(CC)O[C@@H]1C=C(C)CC[C@@H]1[C@@H](O)[C@@H]1O[C@H]1CC(C)C
InChIInChI=1S/C20H38O3Si/c1-7-24(8-2,9-3)23-17-13-15(6)10-11-16(17)19(21)20-18(22-20)12-14(4)5/h13-14,16-21H,7-12H2,1-6H3/t16-,17+,18-,19+,20+/m0/s1
InChIKeyAWYVLISDKBRHGG-PXTPFGJHSA-N
XLogP4.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7,8-Epoxy-2,11-cembradiene-4,6-diol
CID 6439152
[(2S,3S)-3-[(E,2R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,7-trimethyl-4-methylidenenon-5-enyl]oxiran-2-yl]methanol
CID 24865148
(2R,3R,4R,5RS)-3,4-Epoxy-5-ol-1,2-bis(triisopropylsilyloxy)-4,6-dimethyl-6(E)-nonene
CID 101244418
(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3R)-3-[(1S,5S)-1-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,6R)-6-(4-hydroxybut-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]-5-methyl-3-methylidenehexyl]oxiran-2-yl]-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]pent-4-en-2-ol
CID 134870631
[(3R)-3-[(E,2R,3S,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-5-enyl]oxiran-2-yl]methanol
CID 135012529
rel-(1R,2R,4S,5E,7S,10E,14R)-7-isopropyl-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-5,10-diene-2,4-diol
CID 643691
[(2S,3S)-3-[(E,2S,3R,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-5-enyl]oxiran-2-yl]methanol
CID 10884763
[(2R,3S)-3-[(E,2S,3R,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-5-enyl]oxiran-2-yl]methanol
CID 15457492
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]ethanol
CID 60088525
hydroxy-dimethyl-[2-methyl-1-[(1R,4R,5R,6S)-4,5,6-tributoxy-3-(butoxymethyl)cyclohex-2-en-1-yl]propan-2-yl]silane
CID 71079950
(1R,2R,4S,5E,7S,10E,14R)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-diene-2,4-diol
CID 89791229
(1S,2R,4S,5E,7S,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-diene-2,4-diol
CID 89791293

Frequently Asked Questions

What is the IUPAC name of (R)-[(2S,3S)-3-(2-methylpropyl)oxiran-2-yl]-[(1R,2R)-4-methyl-2-triethylsilyloxycyclohex-3-en-1-yl]methanol?
The IUPAC name of (R)-[(2S,3S)-3-(2-methylpropyl)oxiran-2-yl]-[(1R,2R)-4-methyl-2-triethylsilyloxycyclohex-3-en-1-yl]methanol (CID 10904358) is (R)-[(2S,3S)-3-(2-methylpropyl)oxiran-2-yl]-[(1R,2R)-4-methyl-2-triethylsilyloxycyclohex-3-en-1-yl]methanol.
What is the SMILES notation for (R)-[(2S,3S)-3-(2-methylpropyl)oxiran-2-yl]-[(1R,2R)-4-methyl-2-triethylsilyloxycyclohex-3-en-1-yl]methanol?
The canonical SMILES for (R)-[(2S,3S)-3-(2-methylpropyl)oxiran-2-yl]-[(1R,2R)-4-methyl-2-triethylsilyloxycyclohex-3-en-1-yl]methanol is CC[Si](CC)(CC)O[C@@H]1C=C(C)CC[C@@H]1[C@@H](O)[C@@H]1O[C@H]1CC(C)C.
What is the InChIKey of (R)-[(2S,3S)-3-(2-methylpropyl)oxiran-2-yl]-[(1R,2R)-4-methyl-2-triethylsilyloxycyclohex-3-en-1-yl]methanol?
The InChIKey is AWYVLISDKBRHGG-PXTPFGJHSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-7-24(8-2,9-3)23-17-13-15(6)10-11-16(17)19(21)20-18(22-20)12-14(4)5/h13-14,16-21H,7-12H2,1-6H3/t16-,17+,18-,19+,20+/m0/s1.
What are the key properties of (R)-[(2S,3S)-3-(2-methylpropyl)oxiran-2-yl]-[(1R,2R)-4-methyl-2-triethylsilyloxycyclohex-3-en-1-yl]methanol?
(R)-[(2S,3S)-3-(2-methylpropyl)oxiran-2-yl]-[(1R,2R)-4-methyl-2-triethylsilyloxycyclohex-3-en-1-yl]methanol has a molecular weight of 354.61 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2S,3S)-3-(2-methylpropyl)oxiran-2-yl]-[(1R,2R)-4-methyl-2-triethylsilyloxycyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 10904358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).