[(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate

C18H36O5Si2 — CID 134836941

IUPAC[(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate
SMILESCO[C@@H]1C(O[Si](C)(C)C)=CC[C@H](OC(C)=O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O5Si2/c1-13(19)21-14-11-12-15(22-24(6,7)8)16(20-5)17(14)23-25(9,10)18(2,3)4/h12,14,16-17H,11H2,1-10H3/t14-,16+,17+/m0/s1
InChIKeyOWUXMXFDSHJFQS-USXIJHARSA-N
MW388.65 g/mol
LogP4.46
Rot. Bonds6

About [(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate

[(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate (PubChem CID 134836941) has the molecular formula C18H36O5Si2 and a molecular weight of 388.65 g/mol. Its IUPAC name is [(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate.

Molecular Properties

Compound Name[(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate
PubChem CID134836941
Molecular FormulaC18H36O5Si2
Molecular Weight388.65 g/mol
Exact Mass388.21
IUPAC Name[(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate
SMILESCO[C@@H]1C(O[Si](C)(C)C)=CC[C@H](OC(C)=O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O5Si2/c1-13(19)21-14-11-12-15(22-24(6,7)8)16(20-5)17(14)23-25(9,10)18(2,3)4/h12,14,16-17H,11H2,1-10H3/t14-,16+,17+/m0/s1
InChIKeyOWUXMXFDSHJFQS-USXIJHARSA-N
XLogP4.46
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.65
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 16066828
methyl (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 12192990
methyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 14656184
methyl (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 44397488
octyl (E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylideneoxan-2-yl]-3-methylbut-2-enoate
CID 101185873
[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
CID 134971110
ethyl (E)-3-[(2R,3S,4E)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-ethoxy-2-oxoethylidene)oxan-2-yl]prop-2-enoate
CID 15934809
[(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 14483578
[(1S,2R,3R,4E)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethylidene-3-methoxycyclohexyl] acetate
CID 101857320
methyl (E)-4-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enoxycarbonyloxy-3,6-dihydro-2H-pyran-2-yl]-3-methylbut-2-enoate
CID 102146556
tert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 134836950
[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
CID 134875305

Frequently Asked Questions

What is the IUPAC name of [(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate?
The IUPAC name of [(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate (CID 134836941) is [(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate.
What is the SMILES notation for [(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate?
The canonical SMILES for [(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate is CO[C@@H]1C(O[Si](C)(C)C)=CC[C@H](OC(C)=O)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate?
The InChIKey is OWUXMXFDSHJFQS-USXIJHARSA-N. The full InChI is InChI=1S/C18H36O5Si2/c1-13(19)21-14-11-12-15(22-24(6,7)8)16(20-5)17(14)23-25(9,10)18(2,3)4/h12,14,16-17H,11H2,1-10H3/t14-,16+,17+/m0/s1.
What are the key properties of [(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate?
[(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate has a molecular weight of 388.65 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate is sourced from PubChem (CID 134836941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).