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

C20H42O2Si2 — CID 14961478

IUPAC[(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
SMILESCC(C)[Si](OC[C@]1(CO)CCC=C[C@H]1[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H42O2Si2/c1-16(2)24(17(3)4,18(5)6)22-15-20(14-21)13-11-10-12-19(20)23(7,8)9/h10,12,16-19,21H,11,13-15H2,1-9H3/t19-,20-/m1/s1
InChIKeyUCHAZDBFAVMHLR-WOJBJXKFSA-N
MW370.73 g/mol
LogP6.22
Rot. Bonds8

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

[(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol (PubChem CID 14961478) has the molecular formula C20H42O2Si2 and a molecular weight of 370.73 g/mol. Its IUPAC name is [(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
PubChem CID14961478
Molecular FormulaC20H42O2Si2
Molecular Weight370.73 g/mol
Exact Mass370.27
IUPAC Name[(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
SMILESCC(C)[Si](OC[C@]1(CO)CCC=C[C@H]1[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H42O2Si2/c1-16(2)24(17(3)4,18(5)6)22-15-20(14-21)13-11-10-12-19(20)23(7,8)9/h10,12,16-19,21H,11,13-15H2,1-9H3/t19-,20-/m1/s1
InChIKeyUCHAZDBFAVMHLR-WOJBJXKFSA-N
XLogP6.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.73
LogP ≤ 56.22
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)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
CID 14961479
(E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol
CID 11858811
Trimethyl-[[1-(trimethylsilyloxymethyl)cyclohex-3-en-1-yl]methoxy]silane
CID 57252828
6-[Tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol
CID 91552534
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
(E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-en-1-ol
CID 156686188
2,3-Dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;(5,6-dimethylcyclohex-3-en-1-yl)methanol
CID 164987019
(E)-10-[tert-butyl(dimethyl)silyl]oxy-4-ethenyldec-6-en-1-ol
CID 171749294
(E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-en-1-ol
CID 173943738
[2-[Tert-butyl(dimethyl)silyl]oxy-1-methyl-6-methylidenecyclohex-3-en-1-yl]methanol
CID 10707045
(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,3-diol
CID 10924673

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol?
The IUPAC name of [(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol (CID 14961478) is [(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol is CC(C)[Si](OC[C@]1(CO)CCC=C[C@H]1[Si](C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol?
The InChIKey is UCHAZDBFAVMHLR-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H42O2Si2/c1-16(2)24(17(3)4,18(5)6)22-15-20(14-21)13-11-10-12-19(20)23(7,8)9/h10,12,16-19,21H,11,13-15H2,1-9H3/t19-,20-/m1/s1.
What are the key properties of [(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol?
[(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol has a molecular weight of 370.73 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 14961478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).