[(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol

C17H32O2Si — CID 25053671

IUPAC[(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol
SMILESC=C1C[C@]2(CO[Si](C)(C)C(C)(C)C)CC[C@H]1C[C@H]2CO
InChIInChI=1S/C17H32O2Si/c1-13-10-17(8-7-14(13)9-15(17)11-18)12-19-20(5,6)16(2,3)4/h14-15,18H,1,7-12H2,2-6H3/t14-,15-,17-/m0/s1
InChIKeyPTVNGDLAIPHHGM-ZOBUZTSGSA-N
MW296.53 g/mol
LogP4.36
Rot. Bonds4

About [(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol

[(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol (PubChem CID 25053671) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is [(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol.

Molecular Properties

Compound Name[(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol
PubChem CID25053671
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name[(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol
SMILESC=C1C[C@]2(CO[Si](C)(C)C(C)(C)C)CC[C@H]1C[C@H]2CO
InChIInChI=1S/C17H32O2Si/c1-13-10-17(8-7-14(13)9-15(17)11-18)12-19-20(5,6)16(2,3)4/h14-15,18H,1,7-12H2,2-6H3/t14-,15-,17-/m0/s1
InChIKeyPTVNGDLAIPHHGM-ZOBUZTSGSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.36
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,4S)-1-(hydroxymethyl)-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol
CID 25053670
[(1R,2R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-1-bicyclo[2.2.2]octanyl]methanol
CID 25053672
1-[(1R,2S,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]propan-2-ol
CID 25053674
[1-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol
CID 74421798
Tert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane
CID 134941572
1-(t-Butyldimethylsilyl)-4-(2,2-dimethyl-6-methylene-cyclohexyl)-butan-1-ol
CID 554440
[(1S,2R,5S)-2-[(4R,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexyl]methanol
CID 57890506
[(4R,7aS)-5-[(1R,2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylcyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]methanol
CID 58103727
[(4R,7aS)-5-[(1R,2S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4,5-trimethylcyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]methanol
CID 58103770
[(1R,4aS,8aR)-8a-ethyl-1,4a-dimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-1-yl]methanol
CID 66641736
[(4aR,8aS)-1,1,4a-trimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-yl]methanol
CID 118136057
[(4bR)-8a-ethyl-1,4a-dimethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-1-yl]methanol
CID 145508372

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol?
The IUPAC name of [(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol (CID 25053671) is [(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol.
What is the SMILES notation for [(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol?
The canonical SMILES for [(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol is C=C1C[C@]2(CO[Si](C)(C)C(C)(C)C)CC[C@H]1C[C@H]2CO.
What is the InChIKey of [(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol?
The InChIKey is PTVNGDLAIPHHGM-ZOBUZTSGSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-13-10-17(8-7-14(13)9-15(17)11-18)12-19-20(5,6)16(2,3)4/h14-15,18H,1,7-12H2,2-6H3/t14-,15-,17-/m0/s1.
What are the key properties of [(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol?
[(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol has a molecular weight of 296.53 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol is sourced from PubChem (CID 25053671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).