(1R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,5,5-trimethylcyclohex-2-en-1-ol

C19H38O2Si — CID 10969461

IUPAC(1R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,5,5-trimethylcyclohex-2-en-1-ol
SMILESC[C@@H](CC[C@H]1C(C)(C)CC=C[C@@]1(C)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si/c1-15(21-22(8,9)17(2,3)4)11-12-16-18(5,6)13-10-14-19(16,7)20/h10,14-16,20H,11-13H2,1-9H3/t15-,16-,19+/m0/s1
InChIKeyWNGSPFIQTCBFLP-TXPKVOOTSA-N
MW326.60 g/mol
LogP5.53
Rot. Bonds5

About (1R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,5,5-trimethylcyclohex-2-en-1-ol

(1R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,5,5-trimethylcyclohex-2-en-1-ol (PubChem CID 10969461) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is (1R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,5,5-trimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,5,5-trimethylcyclohex-2-en-1-ol
PubChem CID10969461
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name(1R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,5,5-trimethylcyclohex-2-en-1-ol
SMILESC[C@@H](CC[C@H]1C(C)(C)CC=C[C@@]1(C)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si/c1-15(21-22(8,9)17(2,3)4)11-12-16-18(5,6)13-10-14-19(16,7)20/h10,14-16,20H,11-13H2,1-9H3/t15-,16-,19+/m0/s1
InChIKeyWNGSPFIQTCBFLP-TXPKVOOTSA-N
XLogP5.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 55.53
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

(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol
CID 10595092
trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 11759563
3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohex-2-en-1-yl]propan-1-ol
CID 12132314
trans-(1R,2R)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 101029064
4-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-ol
CID 134835026
(4S,6R,7S,8S)-4-[tert-butyl(dimethyl)silyl]oxy-8-ethenyl-7-[(1S)-1-hydroxyprop-2-enyl]-1,5,6-trimethylbicyclo[3.2.1]oct-2-en-6-ol
CID 134839128
(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,8-hexahydronaphthalen-2-ol
CID 134865796
trans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol
CID 134941785
(1R,4S,5S,7S)-4-[tert-butyl(dimethyl)silyl]oxy-5,8,8-trimethyl-3-prop-2-enylbicyclo[5.1.0]oct-2-en-1-ol
CID 134952997
(1R,5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
CID 135037816
(4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-8-ethenyl-7-[(1S)-1-hydroxyprop-2-enyl]-1,5,6-trimethylbicyclo[3.2.1]oct-2-en-6-ol
CID 135073920
(3aR,13aS)-1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclopenta[12]annulen-3a-ol
CID 138968866

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,5,5-trimethylcyclohex-2-en-1-ol?
The IUPAC name of (1R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,5,5-trimethylcyclohex-2-en-1-ol (CID 10969461) is (1R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,5,5-trimethylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,5,5-trimethylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,5,5-trimethylcyclohex-2-en-1-ol is C[C@@H](CC[C@H]1C(C)(C)CC=C[C@@]1(C)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,5,5-trimethylcyclohex-2-en-1-ol?
The InChIKey is WNGSPFIQTCBFLP-TXPKVOOTSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-15(21-22(8,9)17(2,3)4)11-12-16-18(5,6)13-10-14-19(16,7)20/h10,14-16,20H,11-13H2,1-9H3/t15-,16-,19+/m0/s1.
What are the key properties of (1R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,5,5-trimethylcyclohex-2-en-1-ol?
(1R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,5,5-trimethylcyclohex-2-en-1-ol has a molecular weight of 326.60 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,5,5-trimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 10969461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).