[(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylcyclohex-2-en-1-yl]methanol

C15H30O3Si — CID 10108081

IUPAC[(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylcyclohex-2-en-1-yl]methanol
SMILESCC1=C(CO)[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H30O3Si/c1-11-7-8-14(13(10-17)12(11)9-16)18-19(5,6)15(2,3)4/h13-14,16-17H,7-10H2,1-6H3/t13-,14-/m0/s1
InChIKeyWFUXNDOPJVFLEI-KBPBESRZSA-N
MW286.49 g/mol
LogP3.09
Rot. Bonds4

About [(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylcyclohex-2-en-1-yl]methanol

[(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylcyclohex-2-en-1-yl]methanol (PubChem CID 10108081) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is [(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylcyclohex-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylcyclohex-2-en-1-yl]methanol
PubChem CID10108081
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name[(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylcyclohex-2-en-1-yl]methanol
SMILESCC1=C(CO)[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H30O3Si/c1-11-7-8-14(13(10-17)12(11)9-16)18-19(5,6)15(2,3)4/h13-14,16-17H,7-10H2,1-6H3/t13-,14-/m0/s1
InChIKeyWFUXNDOPJVFLEI-KBPBESRZSA-N
XLogP3.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(1S,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 12034957
(1S,2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 11301047
[4-[Tert-butyl(dimethyl)silyl]oxy-2-methylcyclopenten-1-yl]methanol
CID 16115547
(3R,4S,5R,6S)-5-butyl-6-methyl-3-tri(propan-2-yl)silyloxy-2,3,4,5,6,7-hexahydro-1H-inden-4-ol
CID 135014172
(Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol
CID 164671236
(E,1R)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol
CID 164671237
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]methanol
CID 10541081
3-[3-[Hydroxy(dimethyl)silyl]-3-methylbutyl]cyclohex-2-en-1-ol
CID 70961148
[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexen-1-yl]methanol
CID 89472491
3-[15-[Tert-butyl(dimethyl)silyl]oxypentadecyl]-2,4,4-trimethylcyclohex-2-en-1-ol
CID 169061269
[3-[Tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]methanol
CID 173718730
[5-[Tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenecyclohexen-1-yl]methanol
CID 173729899

Frequently Asked Questions

What is the IUPAC name of [(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylcyclohex-2-en-1-yl]methanol?
The IUPAC name of [(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylcyclohex-2-en-1-yl]methanol (CID 10108081) is [(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylcyclohex-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylcyclohex-2-en-1-yl]methanol?
The canonical SMILES for [(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylcyclohex-2-en-1-yl]methanol is CC1=C(CO)[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of [(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylcyclohex-2-en-1-yl]methanol?
The InChIKey is WFUXNDOPJVFLEI-KBPBESRZSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-11-7-8-14(13(10-17)12(11)9-16)18-19(5,6)15(2,3)4/h13-14,16-17H,7-10H2,1-6H3/t13-,14-/m0/s1.
What are the key properties of [(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylcyclohex-2-en-1-yl]methanol?
[(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylcyclohex-2-en-1-yl]methanol has a molecular weight of 286.49 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylcyclohex-2-en-1-yl]methanol is sourced from PubChem (CID 10108081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).