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

C16H32O2Si — CID 170702889

IUPAC(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol
SMILESCC(C)C1=C[C@H](O[Si](C)(C)C(C)(C)C)[C@](C)(O)CC1
InChIInChI=1S/C16H32O2Si/c1-12(2)13-9-10-16(6,17)14(11-13)18-19(7,8)15(3,4)5/h11-12,14,17H,9-10H2,1-8H3/t14-,16+/m0/s1
InChIKeyMAJMBSUBMJRETN-GOEBONIOSA-N
MW284.52 g/mol
LogP4.50
Rot. Bonds3

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

(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol (PubChem CID 170702889) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol
PubChem CID170702889
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol
SMILESCC(C)C1=C[C@H](O[Si](C)(C)C(C)(C)C)[C@](C)(O)CC1
InChIInChI=1S/C16H32O2Si/c1-12(2)13-9-10-16(6,17)14(11-13)18-19(7,8)15(3,4)5/h11-12,14,17H,9-10H2,1-8H3/t14-,16+/m0/s1
InChIKeyMAJMBSUBMJRETN-GOEBONIOSA-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

(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopentane-1,2-diol
CID 53497048
(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,4-dimethylcyclopentene-1-carbonitrile
CID 11277160
(1S,3aS,4R,8aR)-4-(hydroxymethyl)-1-methyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
CID 162975091
[(1S,4E,6S,7R,10Z,14S)-7-hydroxy-11-(hydroxymethyl)-1,7-dimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-yl] acetate
CID 163115986
(1R,3aS,8aR)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
CID 15934381
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
(1R,2S,4E,6E,10R,11S)-2,7,11-trimethyl-4-propan-2-yl-14-oxabicyclo[8.3.1]tetradeca-4,6-diene-2,11-diol
CID 46881226
(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol
CID 89472494
1-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,4-dimethylcyclopenten-1-yl]propan-1-one
CID 101066730
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(dibromomethyl)cyclohex-2-en-1-ol
CID 101044260
(1R,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-10,11,11-trimethylbicyclo[5.3.1]undec-9-en-2-one
CID 10689364
tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane
CID 134859193

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol?
The IUPAC name of (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol (CID 170702889) is (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol.
What is the SMILES notation for (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol?
The canonical SMILES for (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol is CC(C)C1=C[C@H](O[Si](C)(C)C(C)(C)C)[C@](C)(O)CC1.
What is the InChIKey of (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol?
The InChIKey is MAJMBSUBMJRETN-GOEBONIOSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-12(2)13-9-10-16(6,17)14(11-13)18-19(7,8)15(3,4)5/h11-12,14,17H,9-10H2,1-8H3/t14-,16+/m0/s1.
What are the key properties of (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol?
(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-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 (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol is sourced from PubChem (CID 170702889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).