methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate

C19H34O4Si — CID 10665855

IUPACmethyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate
SMILESCOC(=O)/C=C(\C)CC/C=C(\C)CC[C@@H]1O[C@@]1(C)CO[Si](C)(C)C
InChIInChI=1S/C19H34O4Si/c1-15(9-8-10-16(2)13-18(20)21-4)11-12-17-19(3,23-17)14-22-24(5,6)7/h9,13,17H,8,10-12,14H2,1-7H3/b15-9+,16-13+/t17-,19-/m0/s1
InChIKeyVICWSIKTWFHZLC-KZEIZBRGSA-N
MW354.56 g/mol
LogP4.62
Rot. Bonds10

About methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate

methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate (PubChem CID 10665855) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate.

Molecular Properties

Compound Namemethyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate
PubChem CID10665855
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Namemethyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate
SMILESCOC(=O)/C=C(\C)CC/C=C(\C)CC[C@@H]1O[C@@]1(C)CO[Si](C)(C)C
InChIInChI=1S/C19H34O4Si/c1-15(9-8-10-16(2)13-18(20)21-4)11-12-17-19(3,23-17)14-22-24(5,6)7/h9,13,17H,8,10-12,14H2,1-7H3/b15-9+,16-13+/t17-,19-/m0/s1
InChIKeyVICWSIKTWFHZLC-KZEIZBRGSA-N
XLogP4.62
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.62
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Epoxyniaviolide
CID 162993985
methyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-(trimethylsilylmethyl)pent-2-enoate
CID 134889714
[(2E,6E)-2,6-dimethyl-9-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]nona-2,6-dienyl] acetate
CID 44248348
[(2E,6E)-9-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienyl] acetate
CID 102574037
Methyl 10-[(bromomethyl)dimethylsilyloxy]-11-methoxy-3,7,11-trimethyl-2,6-dodecadienoate
CID 129847135
[(5E,9E)-12-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-6,10-dimethyldodeca-5,9-dien-2-yl] acetate
CID 134834148
tert-butyl [(2S,3S)-3-[(3E,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethylnona-3,7-dienyl]-2-methyloxiran-2-yl]methyl carbonate
CID 135024075
[(2E,6E)-9-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienyl] acetate
CID 162414140
methyl (2E,6E)-9-[(2R,3R)-3-(hydroxymethyl)-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
CID 11011465
(1S,2E,6R,15S,16S)-15-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5,17-dioxabicyclo[14.1.0]heptadec-2-en-4-one
CID 21608910
methyl (2Z,6E)-9-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]-7-methyl-3-(trimethylsilylmethyl)nona-2,6-dienoate
CID 101004449
methyl (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-enoate
CID 25025432

Frequently Asked Questions

What is the IUPAC name of methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate?
The IUPAC name of methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate (CID 10665855) is methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate.
What is the SMILES notation for methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate?
The canonical SMILES for methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate is COC(=O)/C=C(\C)CC/C=C(\C)CC[C@@H]1O[C@@]1(C)CO[Si](C)(C)C.
What is the InChIKey of methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate?
The InChIKey is VICWSIKTWFHZLC-KZEIZBRGSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-15(9-8-10-16(2)13-18(20)21-4)11-12-17-19(3,23-17)14-22-24(5,6)7/h9,13,17H,8,10-12,14H2,1-7H3/b15-9+,16-13+/t17-,19-/m0/s1.
What are the key properties of methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate?
methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate has a molecular weight of 354.56 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate is sourced from PubChem (CID 10665855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).