methyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-(trimethylsilylmethyl)pent-2-enoate

C14H26O3Si — CID 134889714

IUPACmethyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-(trimethylsilylmethyl)pent-2-enoate
SMILESCOC(=O)/C=C(/CCC1OC1(C)C)C[Si](C)(C)C
InChIInChI=1S/C14H26O3Si/c1-14(2)12(17-14)8-7-11(9-13(15)16-3)10-18(4,5)6/h9,12H,7-8,10H2,1-6H3/b11-9-
InChIKeyWBVWGRBMZTUSKM-LUAWRHEFSA-N
MW270.44 g/mol
LogP3.38
Rot. Bonds6

About methyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-(trimethylsilylmethyl)pent-2-enoate

methyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-(trimethylsilylmethyl)pent-2-enoate (PubChem CID 134889714) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is methyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-(trimethylsilylmethyl)pent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-(trimethylsilylmethyl)pent-2-enoate
PubChem CID134889714
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Namemethyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-(trimethylsilylmethyl)pent-2-enoate
SMILESCOC(=O)/C=C(/CCC1OC1(C)C)C[Si](C)(C)C
InChIInChI=1S/C14H26O3Si/c1-14(2)12(17-14)8-7-11(9-13(15)16-3)10-18(4,5)6/h9,12H,7-8,10H2,1-6H3/b11-9-
InChIKeyWBVWGRBMZTUSKM-LUAWRHEFSA-N
XLogP3.38
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze methyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-(trimethylsilylmethyl)pent-2-enoate with MolForge

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Related Compounds

Sarcophine
CID 6436805
Methyl (2E,6E)-9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethyl-2,6-nonadienoate
CID 5367549
(+)-Juvenile hormone III
CID 5281523
Juvenile Hormone II
CID 5459796
5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate
CID 5951297
3,8,12,16-Tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-17-one
CID 317613
(2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
CID 49859558
Juvenile hormone I
CID 11197171
(1S,2E,6R,8S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-17-one
CID 14586904
(1S,2E,6S,8R,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-17-one
CID 162947400
methyl (2E,6E)-7-ethyl-9-(3-ethyl-3-methyloxiran-2-yl)-3-methylnona-2,6-dienoate
CID 5365101
(1S,6S,8S)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-17-one
CID 99616

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-(trimethylsilylmethyl)pent-2-enoate?
The IUPAC name of methyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-(trimethylsilylmethyl)pent-2-enoate (CID 134889714) is methyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-(trimethylsilylmethyl)pent-2-enoate.
What is the SMILES notation for methyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-(trimethylsilylmethyl)pent-2-enoate?
The canonical SMILES for methyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-(trimethylsilylmethyl)pent-2-enoate is COC(=O)/C=C(/CCC1OC1(C)C)C[Si](C)(C)C.
What is the InChIKey of methyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-(trimethylsilylmethyl)pent-2-enoate?
The InChIKey is WBVWGRBMZTUSKM-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-14(2)12(17-14)8-7-11(9-13(15)16-3)10-18(4,5)6/h9,12H,7-8,10H2,1-6H3/b11-9-.
What are the key properties of methyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-(trimethylsilylmethyl)pent-2-enoate?
methyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-(trimethylsilylmethyl)pent-2-enoate has a molecular weight of 270.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-(trimethylsilylmethyl)pent-2-enoate is sourced from PubChem (CID 134889714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).