2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]ethanol

C20H40O2Si — CID 102518990

IUPAC2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]ethanol
SMILESCC(C)=C1CC[C@@H](C)[C@@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H]1CCO
InChIInChI=1S/C20H40O2Si/c1-15(2)17-11-10-16(3)20(7,18(17)12-13-21)14-22-23(8,9)19(4,5)6/h16,18,21H,10-14H2,1-9H3/t16-,18-,20-/m1/s1
InChIKeyBPPDCCSQZXWGGG-YVWKXTFCSA-N
MW340.62 g/mol
LogP5.78
Rot. Bonds5

About 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]ethanol

2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]ethanol (PubChem CID 102518990) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]ethanol.

Molecular Properties

Compound Name2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]ethanol
PubChem CID102518990
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Name2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]ethanol
SMILESCC(C)=C1CC[C@@H](C)[C@@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H]1CCO
InChIInChI=1S/C20H40O2Si/c1-15(2)17-11-10-16(3)20(7,18(17)12-13-21)14-22-23(8,9)19(4,5)6/h16,18,21H,10-14H2,1-9H3/t16-,18-,20-/m1/s1
InChIKeyBPPDCCSQZXWGGG-YVWKXTFCSA-N
XLogP5.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 55.78
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

3-[(1R,4aR,5S,6S)-1,5,6-trimethyl-5-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]propan-1-ol
CID 10717812
1-(t-Butyldimethylsilyl)-4-(2,2-dimethyl-6-methylene-cyclohexyl)-butan-1-ol
CID 554440
2-[(1R,2S,6R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]ethanol
CID 45102243
[(4S,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-4-triethylsilyloxy-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol
CID 178258766
[(4aS,5R,6R,8aS)-5,6,8a-trimethyl-5-[2-tri(propan-2-yl)silyloxyethyl]-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
CID 10669203
3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-ol
CID 10925021
[(1S,4aS,8aS)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
CID 11187297
(2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-1-ol
CID 11483274
(1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enyl]-1,2,3-trimethylcyclohexan-1-ol
CID 11783195
[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohexen-1-yl]methanol
CID 11822659
tert-butyl-[3-[(1S,2R,3R)-2-ethenyl-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propoxy]-dimethylsilane
CID 24997218
[(1R,4aS,8aS)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
CID 101357042

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]ethanol?
The IUPAC name of 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]ethanol (CID 102518990) is 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]ethanol.
What is the SMILES notation for 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]ethanol?
The canonical SMILES for 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]ethanol is CC(C)=C1CC[C@@H](C)[C@@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H]1CCO.
What is the InChIKey of 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]ethanol?
The InChIKey is BPPDCCSQZXWGGG-YVWKXTFCSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-15(2)17-11-10-16(3)20(7,18(17)12-13-21)14-22-23(8,9)19(4,5)6/h16,18,21H,10-14H2,1-9H3/t16-,18-,20-/m1/s1.
What are the key properties of 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]ethanol?
2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]ethanol has a molecular weight of 340.62 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]ethanol is sourced from PubChem (CID 102518990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).