[(1S,5R,6S)-6-(hydroxymethyl)-5-trimethylsilylcyclohex-3-en-1-yl]methanol

C11H22O2Si — CID 102577065

IUPAC[(1S,5R,6S)-6-(hydroxymethyl)-5-trimethylsilylcyclohex-3-en-1-yl]methanol
SMILESC[Si](C)(C)[C@@H]1C=CC[C@H](CO)[C@H]1CO
InChIInChI=1S/C11H22O2Si/c1-14(2,3)11-6-4-5-9(7-12)10(11)8-13/h4,6,9-13H,5,7-8H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyITTVVCIZTGMIQL-GMTAPVOTSA-N
MW214.38 g/mol
LogP1.87
Rot. Bonds3

About [(1S,5R,6S)-6-(hydroxymethyl)-5-trimethylsilylcyclohex-3-en-1-yl]methanol

[(1S,5R,6S)-6-(hydroxymethyl)-5-trimethylsilylcyclohex-3-en-1-yl]methanol (PubChem CID 102577065) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is [(1S,5R,6S)-6-(hydroxymethyl)-5-trimethylsilylcyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,5R,6S)-6-(hydroxymethyl)-5-trimethylsilylcyclohex-3-en-1-yl]methanol
PubChem CID102577065
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name[(1S,5R,6S)-6-(hydroxymethyl)-5-trimethylsilylcyclohex-3-en-1-yl]methanol
SMILESC[Si](C)(C)[C@@H]1C=CC[C@H](CO)[C@H]1CO
InChIInChI=1S/C11H22O2Si/c1-14(2,3)11-6-4-5-9(7-12)10(11)8-13/h4,6,9-13H,5,7-8H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyITTVVCIZTGMIQL-GMTAPVOTSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of [(1S,5R,6S)-6-(hydroxymethyl)-5-trimethylsilylcyclohex-3-en-1-yl]methanol?
The IUPAC name of [(1S,5R,6S)-6-(hydroxymethyl)-5-trimethylsilylcyclohex-3-en-1-yl]methanol (CID 102577065) is [(1S,5R,6S)-6-(hydroxymethyl)-5-trimethylsilylcyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [(1S,5R,6S)-6-(hydroxymethyl)-5-trimethylsilylcyclohex-3-en-1-yl]methanol?
The canonical SMILES for [(1S,5R,6S)-6-(hydroxymethyl)-5-trimethylsilylcyclohex-3-en-1-yl]methanol is C[Si](C)(C)[C@@H]1C=CC[C@H](CO)[C@H]1CO.
What is the InChIKey of [(1S,5R,6S)-6-(hydroxymethyl)-5-trimethylsilylcyclohex-3-en-1-yl]methanol?
The InChIKey is ITTVVCIZTGMIQL-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-14(2,3)11-6-4-5-9(7-12)10(11)8-13/h4,6,9-13H,5,7-8H2,1-3H3/t9-,10-,11-/m1/s1.
What are the key properties of [(1S,5R,6S)-6-(hydroxymethyl)-5-trimethylsilylcyclohex-3-en-1-yl]methanol?
[(1S,5R,6S)-6-(hydroxymethyl)-5-trimethylsilylcyclohex-3-en-1-yl]methanol has a molecular weight of 214.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R,6S)-6-(hydroxymethyl)-5-trimethylsilylcyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 102577065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).