2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol

C16H32O2Si — CID 10880626

IUPAC2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
SMILESCC1=CC[C@H](C(C)(C)O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-12-9-10-13(16(5,6)17)11-14(12)18-19(7,8)15(2,3)4/h9,13-14,17H,10-11H2,1-8H3/t13-,14+/m0/s1
InChIKeyDATXUDUHLBTZNZ-UONOGXRCSA-N
MW284.52 g/mol
LogP4.50
Rot. Bonds3

About 2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol

2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol (PubChem CID 10880626) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
PubChem CID10880626
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
SMILESCC1=CC[C@H](C(C)(C)O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-12-9-10-13(16(5,6)17)11-14(12)18-19(7,8)15(2,3)4/h9,13-14,17H,10-11H2,1-8H3/t13-,14+/m0/s1
InChIKeyDATXUDUHLBTZNZ-UONOGXRCSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.50
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

trans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol
CID 10971240
3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol
CID 11122130
trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 11759563
(3R,4RS,7R)-1-(tert-Butyldimethylsilyloxy)-3,7,11-trimethyl-10-dodecen-4-ol
CID 23727931
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010
trans-(1R,2R)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 101029064
(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol
CID 122371221
tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane
CID 134859193
[(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
CID 134865706
(1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol
CID 134865794
(5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol
CID 134945472
(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-4-en-1-ol
CID 135044249

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol?
The IUPAC name of 2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol (CID 10880626) is 2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol.
What is the SMILES notation for 2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol?
The canonical SMILES for 2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol is CC1=CC[C@H](C(C)(C)O)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol?
The InChIKey is DATXUDUHLBTZNZ-UONOGXRCSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-12-9-10-13(16(5,6)17)11-14(12)18-19(7,8)15(2,3)4/h9,13-14,17H,10-11H2,1-8H3/t13-,14+/m0/s1.
What are the key properties of 2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol?
2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol has a molecular weight of 284.52 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol is sourced from PubChem (CID 10880626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).