[(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol

C21H44O2Si2 — CID 14961479

IUPAC[(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
SMILESCC1=CCC[C@@](CO)(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1[Si](C)(C)C
InChIInChI=1S/C21H44O2Si2/c1-16(2)25(17(3)4,18(5)6)23-15-21(14-22)13-11-12-19(7)20(21)24(8,9)10/h12,16-18,20,22H,11,13-15H2,1-10H3/t20-,21-/m1/s1
InChIKeyIFSSEDCLYPVHPD-NHCUHLMSSA-N
MW384.75 g/mol
LogP6.61
Rot. Bonds8

About [(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol

[(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol (PubChem CID 14961479) has the molecular formula C21H44O2Si2 and a molecular weight of 384.75 g/mol. Its IUPAC name is [(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
PubChem CID14961479
Molecular FormulaC21H44O2Si2
Molecular Weight384.75 g/mol
Exact Mass384.29
IUPAC Name[(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
SMILESCC1=CCC[C@@](CO)(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1[Si](C)(C)C
InChIInChI=1S/C21H44O2Si2/c1-16(2)25(17(3)4,18(5)6)23-15-21(14-22)13-11-12-19(7)20(21)24(8,9)10/h12,16-18,20,22H,11,13-15H2,1-10H3/t20-,21-/m1/s1
InChIKeyIFSSEDCLYPVHPD-NHCUHLMSSA-N
XLogP6.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.75
LogP ≤ 56.61
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'}

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Related Compounds

[(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
CID 14961478
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol
CID 14322955
2-[3-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol;ethanol
CID 66939414
[3-(Bromomethyl)-1-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]cyclopent-3-en-1-yl]-[tert-butyl(dimethyl)silyl]methanol
CID 69977094
3,3,5,8,8-Pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol
CID 123989502
[4,4-Bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol
CID 139774093
2,2-Bis(4-ethylhex-3-enyl)propane-1,3-diol
CID 139884565
(E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,4-trimethyl-3-trimethylsilyloxydodec-4-en-1-ol
CID 10575320
(1R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6,6-trimethylcyclohex-3-en-1-ol
CID 10613090
(E,3R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2,4-trimethyldodec-4-en-1-ol
CID 10624815
[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]methanol
CID 10779449
(1S,2R,5S)-2,4-dimethyl-5-trimethylsilyl-2-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-ol
CID 11058109

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol?
The IUPAC name of [(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol (CID 14961479) is [(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol is CC1=CCC[C@@](CO)(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1[Si](C)(C)C.
What is the InChIKey of [(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol?
The InChIKey is IFSSEDCLYPVHPD-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H44O2Si2/c1-16(2)25(17(3)4,18(5)6)23-15-21(14-22)13-11-12-19(7)20(21)24(8,9)10/h12,16-18,20,22H,11,13-15H2,1-10H3/t20-,21-/m1/s1.
What are the key properties of [(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol?
[(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol has a molecular weight of 384.75 g/mol, XLogP of 6.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 14961479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).