2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]ethanol

C17H34O2Si — CID 14527313

IUPAC2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]ethanol
SMILESC=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]1CCO
InChIInChI=1S/C17H34O2Si/c1-13-9-10-15(17(5,6)14(13)11-12-18)19-20(7,8)16(2,3)4/h14-15,18H,1,9-12H2,2-8H3/t14-,15+/m1/s1
InChIKeyMYIOYDAXSLXZSW-CABCVRRESA-N
MW298.54 g/mol
LogP4.75
Rot. Bonds4

About 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]ethanol

2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]ethanol (PubChem CID 14527313) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]ethanol.

Molecular Properties

Compound Name2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]ethanol
PubChem CID14527313
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]ethanol
SMILESC=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]1CCO
InChIInChI=1S/C17H34O2Si/c1-13-9-10-15(17(5,6)14(13)11-12-18)19-20(7,8)16(2,3)4/h14-15,18H,1,9-12H2,2-8H3/t14-,15+/m1/s1
InChIKeyMYIOYDAXSLXZSW-CABCVRRESA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.75
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,4aR,5S,6R,8aS)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,8a-dimethyl-2-methylidene-6-triethylsilyloxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
CID 11191463
Buzhysxwcxkzpr-cabcvrresa-
CID 14563305
6-[Tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol
CID 10546759
(1R,2S,4aS,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol
CID 11290709
1-[4-[Tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-ol
CID 11702539
1-[(1R,2S,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]propan-2-ol
CID 25053674
[(1S,4aR,5S,6R,8aS)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,8a-dimethyl-2-methylidene-6-triethylsilyloxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
CID 134934876
trans-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-methylidene-3-pent-4-ynylcyclohexan-1-ol
CID 135066800
4-[(3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]but-3-en-1-ol
CID 162418352
(2S,3S)-2-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-methylidenecyclohexyl]-3-methylpent-4-en-1-ol
CID 164674454
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

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]ethanol?
The IUPAC name of 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]ethanol (CID 14527313) is 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]ethanol.
What is the SMILES notation for 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]ethanol?
The canonical SMILES for 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]ethanol is C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]1CCO.
What is the InChIKey of 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]ethanol?
The InChIKey is MYIOYDAXSLXZSW-CABCVRRESA-N. The full InChI is InChI=1S/C17H34O2Si/c1-13-9-10-15(17(5,6)14(13)11-12-18)19-20(7,8)16(2,3)4/h14-15,18H,1,9-12H2,2-8H3/t14-,15+/m1/s1.
What are the key properties of 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]ethanol?
2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]ethanol has a molecular weight of 298.54 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]ethanol is sourced from PubChem (CID 14527313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).