methyl (2R,5R)-2-methyl-5-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]oxolane-2-carboxylate

C18H34O4Si — CID 11221578

IUPACmethyl (2R,5R)-2-methyl-5-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]oxolane-2-carboxylate
SMILESCOC(=O)[C@@]1(C)CC[C@H]([C@](C)(CCC=C(C)C)O[Si](C)(C)C)O1
InChIInChI=1S/C18H34O4Si/c1-14(2)10-9-12-17(3,22-23(6,7)8)15-11-13-18(4,21-15)16(19)20-5/h10,15H,9,11-13H2,1-8H3/t15-,17+,18-/m1/s1
InChIKeyYHUUZCSWLICKGY-BPQIPLTHSA-N
MW342.55 g/mol
LogP4.45
Rot. Bonds7

About methyl (2R,5R)-2-methyl-5-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]oxolane-2-carboxylate

methyl (2R,5R)-2-methyl-5-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]oxolane-2-carboxylate (PubChem CID 11221578) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is methyl (2R,5R)-2-methyl-5-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5R)-2-methyl-5-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]oxolane-2-carboxylate
PubChem CID11221578
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Namemethyl (2R,5R)-2-methyl-5-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]oxolane-2-carboxylate
SMILESCOC(=O)[C@@]1(C)CC[C@H]([C@](C)(CCC=C(C)C)O[Si](C)(C)C)O1
InChIInChI=1S/C18H34O4Si/c1-14(2)10-9-12-17(3,22-23(6,7)8)15-11-13-18(4,21-15)16(19)20-5/h10,15H,9,11-13H2,1-8H3/t15-,17+,18-/m1/s1
InChIKeyYHUUZCSWLICKGY-BPQIPLTHSA-N
XLogP4.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[(2S)-2-[(2R,5S)-5-[(1R)-3-(benzenesulfonyl)-1-[(4-methoxyphenyl)methoxy]propyl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-trimethylsilane
CID 11273440
[(1S,4R)-4-acetyloxy-1-[(2R,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]-4-[(2S,5S)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]butyl] acetate
CID 163039864
ethyl (E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,5R)-5-[(2S)-2-(methoxymethoxy)-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]-2-methylhex-2-enoate
CID 14059925
(2S)-2-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
CID 10881524
(2S)-2-[(2R,5S)-5-[(2R,5S)-5-[(2R,5S)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
CID 163001933
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol
CID 11470214
2-[2-(methoxymethoxy)-6-methylhept-5-en-2-yl]oxirane
CID 11435847
dimethyl 1-(2,6-dimethylhept-5-en-2-ylamino)-1,3-dihydroindene-2,2-dicarboxylate
CID 102129697
methyl 5-methoxy-2-methyloxane-2-carboxylate
CID 149285012
6-methoxy-2,6-dimethylhept-2-ene
CID 14793993
[(1S,4S,5S)-4,5-dihydroxy-1-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,9,13,17-tetramethyloctadeca-8,12,16-trienyl] acetate
CID 162857234
methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667

Frequently Asked Questions

What is the IUPAC name of methyl (2R,5R)-2-methyl-5-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]oxolane-2-carboxylate?
The IUPAC name of methyl (2R,5R)-2-methyl-5-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]oxolane-2-carboxylate (CID 11221578) is methyl (2R,5R)-2-methyl-5-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]oxolane-2-carboxylate.
What is the SMILES notation for methyl (2R,5R)-2-methyl-5-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]oxolane-2-carboxylate?
The canonical SMILES for methyl (2R,5R)-2-methyl-5-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]oxolane-2-carboxylate is COC(=O)[C@@]1(C)CC[C@H]([C@](C)(CCC=C(C)C)O[Si](C)(C)C)O1.
What is the InChIKey of methyl (2R,5R)-2-methyl-5-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]oxolane-2-carboxylate?
The InChIKey is YHUUZCSWLICKGY-BPQIPLTHSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-14(2)10-9-12-17(3,22-23(6,7)8)15-11-13-18(4,21-15)16(19)20-5/h10,15H,9,11-13H2,1-8H3/t15-,17+,18-/m1/s1.
What are the key properties of methyl (2R,5R)-2-methyl-5-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]oxolane-2-carboxylate?
methyl (2R,5R)-2-methyl-5-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]oxolane-2-carboxylate has a molecular weight of 342.55 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5R)-2-methyl-5-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]oxolane-2-carboxylate is sourced from PubChem (CID 11221578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).