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

C22H44O2Si — CID 45102243

IUPAC2-[(1R,2S,6R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]ethanol
SMILESCC(C)=C1CC[C@@H](C)[C@@](C)(CCO)[C@@H]1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O2Si/c1-17(2)19-13-12-18(3)22(7,14-15-23)20(19)11-10-16-24-25(8,9)21(4,5)6/h18,20,23H,10-16H2,1-9H3/t18-,20-,22-/m1/s1
InChIKeyPQRKTRUHOFMZBL-SYYKKAFVSA-N
MW368.68 g/mol
LogP6.56
Rot. Bonds7

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

2-[(1R,2S,6R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]ethanol (PubChem CID 45102243) has the molecular formula C22H44O2Si and a molecular weight of 368.68 g/mol. Its IUPAC name is 2-[(1R,2S,6R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]ethanol.

Molecular Properties

Compound Name2-[(1R,2S,6R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]ethanol
PubChem CID45102243
Molecular FormulaC22H44O2Si
Molecular Weight368.68 g/mol
Exact Mass368.31
IUPAC Name2-[(1R,2S,6R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]ethanol
SMILESCC(C)=C1CC[C@@H](C)[C@@](C)(CCO)[C@@H]1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O2Si/c1-17(2)19-13-12-18(3)22(7,14-15-23)20(19)11-10-16-24-25(8,9)21(4,5)6/h18,20,23H,10-16H2,1-9H3/t18-,20-,22-/m1/s1
InChIKeyPQRKTRUHOFMZBL-SYYKKAFVSA-N
XLogP6.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
2-((1R,2R,3R)-2-((tert-butyldimethylsilyloxy)methyl)-2,3-dimethyl-6-(propan-2-ylidene)cyclohexyl)ethanol
CID 102518990
1-(t-Butyldimethylsilyl)-4-(2,2-dimethyl-6-methylene-cyclohexyl)-butan-1-ol
CID 554440
(3R)-3-[(3aR,4S,7aS)-7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl]butan-1-ol
CID 10521012
[8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-prop-1-enyl-2,3,4,4a,5,7-hexahydro-1H-naphthalen-1-yl]methanol
CID 54235741
(3R)-3-[(4S,7aS)-7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl]butan-1-ol
CID 140609928
(3R)-3-[(3aR,7aS)-7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl]butan-1-ol
CID 173756329
3-[(3aR,7aS)-7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl]propan-1-ol
CID 173756582
(3R)-3-[(3aR,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl]butan-1-ol
CID 173763163
(3S)-3-[(3aR,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl]butan-1-ol
CID 173763165
(3R)-3-[(3aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl]butan-1-ol
CID 173839444
(3S)-3-[(3aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl]butan-1-ol
CID 173839446

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,6R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]ethanol?
The IUPAC name of 2-[(1R,2S,6R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]ethanol (CID 45102243) is 2-[(1R,2S,6R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]ethanol.
What is the SMILES notation for 2-[(1R,2S,6R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]ethanol?
The canonical SMILES for 2-[(1R,2S,6R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]ethanol is CC(C)=C1CC[C@@H](C)[C@@](C)(CCO)[C@@H]1CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(1R,2S,6R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]ethanol?
The InChIKey is PQRKTRUHOFMZBL-SYYKKAFVSA-N. The full InChI is InChI=1S/C22H44O2Si/c1-17(2)19-13-12-18(3)22(7,14-15-23)20(19)11-10-16-24-25(8,9)21(4,5)6/h18,20,23H,10-16H2,1-9H3/t18-,20-,22-/m1/s1.
What are the key properties of 2-[(1R,2S,6R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]ethanol?
2-[(1R,2S,6R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]ethanol has a molecular weight of 368.68 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,6R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]ethanol is sourced from PubChem (CID 45102243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).