[(1R,6R)-6-(acetyloxymethyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate

C19H34O5Si — CID 10067774

IUPAC[(1R,6R)-6-(acetyloxymethyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CC(CO[Si](C)(C)C(C)(C)C)=CC[C@H]1COC(C)=O
InChIInChI=1S/C19H34O5Si/c1-14(20)22-12-17-9-8-16(10-18(17)13-23-15(2)21)11-24-25(6,7)19(3,4)5/h8,17-18H,9-13H2,1-7H3/t17-,18-/m0/s1
InChIKeyVQUYVIHSECJBFK-ROUUACIJSA-N
MW370.56 g/mol
LogP4.09
Rot. Bonds7

About [(1R,6R)-6-(acetyloxymethyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate

[(1R,6R)-6-(acetyloxymethyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate (PubChem CID 10067774) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is [(1R,6R)-6-(acetyloxymethyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate.

Molecular Properties

Compound Name[(1R,6R)-6-(acetyloxymethyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate
PubChem CID10067774
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Name[(1R,6R)-6-(acetyloxymethyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CC(CO[Si](C)(C)C(C)(C)C)=CC[C@H]1COC(C)=O
InChIInChI=1S/C19H34O5Si/c1-14(20)22-12-17-9-8-16(10-18(17)13-23-15(2)21)11-24-25(6,7)19(3,4)5/h8,17-18H,9-13H2,1-7H3/t17-,18-/m0/s1
InChIKeyVQUYVIHSECJBFK-ROUUACIJSA-N
XLogP4.09
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methyl acetate
CID 71817034
[[(5R)-5,6-dimethylcyclohexen-1-yl]-trimethylsilylmethyl] acetate
CID 18652297
[(5,6-Dimethylcyclohexen-1-yl)-trimethylsilylmethyl] acetate
CID 19760479
[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methyl acetate
CID 22854365
[(4R,6R)-4-methyl-6-tri(propan-2-yl)silyloxycyclohexen-1-yl]methyl acetate
CID 11371232
[(4S,6S)-4-methyl-6-tri(propan-2-yl)silyloxycyclohexen-1-yl]methyl acetate
CID 102210790

Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-6-(acetyloxymethyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate?
The IUPAC name of [(1R,6R)-6-(acetyloxymethyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate (CID 10067774) is [(1R,6R)-6-(acetyloxymethyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate.
What is the SMILES notation for [(1R,6R)-6-(acetyloxymethyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate?
The canonical SMILES for [(1R,6R)-6-(acetyloxymethyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate is CC(=O)OC[C@@H]1CC(CO[Si](C)(C)C(C)(C)C)=CC[C@H]1COC(C)=O.
What is the InChIKey of [(1R,6R)-6-(acetyloxymethyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate?
The InChIKey is VQUYVIHSECJBFK-ROUUACIJSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-14(20)22-12-17-9-8-16(10-18(17)13-23-15(2)21)11-24-25(6,7)19(3,4)5/h8,17-18H,9-13H2,1-7H3/t17-,18-/m0/s1.
What are the key properties of [(1R,6R)-6-(acetyloxymethyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate?
[(1R,6R)-6-(acetyloxymethyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate has a molecular weight of 370.56 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R)-6-(acetyloxymethyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate is sourced from PubChem (CID 10067774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).