methyl (3S,4R)-3-methoxy-4-triethylsilyloxycyclohexene-1-carboxylate

C15H28O4Si — CID 10891944

IUPACmethyl (3S,4R)-3-methoxy-4-triethylsilyloxycyclohexene-1-carboxylate
SMILESCC[Si](CC)(CC)O[C@@H]1CCC(C(=O)OC)=C[C@@H]1OC
InChIInChI=1S/C15H28O4Si/c1-6-20(7-2,8-3)19-13-10-9-12(15(16)18-5)11-14(13)17-4/h11,13-14H,6-10H2,1-5H3/t13-,14+/m1/s1
InChIKeyLOYQQNWFPXTPDS-KGLIPLIRSA-N
MW300.47 g/mol
LogP3.29
Rot. Bonds7

About methyl (3S,4R)-3-methoxy-4-triethylsilyloxycyclohexene-1-carboxylate

methyl (3S,4R)-3-methoxy-4-triethylsilyloxycyclohexene-1-carboxylate (PubChem CID 10891944) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is methyl (3S,4R)-3-methoxy-4-triethylsilyloxycyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl (3S,4R)-3-methoxy-4-triethylsilyloxycyclohexene-1-carboxylate
PubChem CID10891944
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Namemethyl (3S,4R)-3-methoxy-4-triethylsilyloxycyclohexene-1-carboxylate
SMILESCC[Si](CC)(CC)O[C@@H]1CCC(C(=O)OC)=C[C@@H]1OC
InChIInChI=1S/C15H28O4Si/c1-6-20(7-2,8-3)19-13-10-9-12(15(16)18-5)11-14(13)17-4/h11,13-14H,6-10H2,1-5H3/t13-,14+/m1/s1
InChIKeyLOYQQNWFPXTPDS-KGLIPLIRSA-N
XLogP3.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl (3R,4S,5R)-3,5-bis[(tert-butyldimethylsilyl)oxy]-4-methoxycyclohex-1-enecarboxylate
CID 139085651
methyl (3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexene-1-carboxylate
CID 10905821
methyl (3aR,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
CID 10903993
methyl (4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexene-1-carboxylate
CID 15929293
methyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methoxycyclohexene-1-carboxylate
CID 16756814
Methyl 6-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-triene-1-carboxylate
CID 134853091
methyl 6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclohepta-1,3,5-triene-1-carboxylate
CID 134853145
methyl (4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-fluoroethyl)cyclohexene-1-carboxylate
CID 10710544
methyl (3S,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4,6-trihydroxycyclohexene-1-carboxylate
CID 11244068
methyl (3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxycyclohexene-1-carboxylate
CID 13990583
Dvgfkccktasrie-mgpqqgthsa-
CID 21724844
methyl (3aR,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
CID 10521276

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4R)-3-methoxy-4-triethylsilyloxycyclohexene-1-carboxylate?
The IUPAC name of methyl (3S,4R)-3-methoxy-4-triethylsilyloxycyclohexene-1-carboxylate (CID 10891944) is methyl (3S,4R)-3-methoxy-4-triethylsilyloxycyclohexene-1-carboxylate.
What is the SMILES notation for methyl (3S,4R)-3-methoxy-4-triethylsilyloxycyclohexene-1-carboxylate?
The canonical SMILES for methyl (3S,4R)-3-methoxy-4-triethylsilyloxycyclohexene-1-carboxylate is CC[Si](CC)(CC)O[C@@H]1CCC(C(=O)OC)=C[C@@H]1OC.
What is the InChIKey of methyl (3S,4R)-3-methoxy-4-triethylsilyloxycyclohexene-1-carboxylate?
The InChIKey is LOYQQNWFPXTPDS-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-6-20(7-2,8-3)19-13-10-9-12(15(16)18-5)11-14(13)17-4/h11,13-14H,6-10H2,1-5H3/t13-,14+/m1/s1.
What are the key properties of methyl (3S,4R)-3-methoxy-4-triethylsilyloxycyclohexene-1-carboxylate?
methyl (3S,4R)-3-methoxy-4-triethylsilyloxycyclohexene-1-carboxylate has a molecular weight of 300.47 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4R)-3-methoxy-4-triethylsilyloxycyclohexene-1-carboxylate is sourced from PubChem (CID 10891944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).