[(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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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).