methyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate

C20H38O5Si — CID 70399185

IUPACmethyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate
SMILESCOC(=O)CCC/C=C\CC1COC(C)(CO[Si](C)(C)CC(C)C)OC1
InChIInChI=1S/C20H38O5Si/c1-17(2)15-26(5,6)25-16-20(3)23-13-18(14-24-20)11-9-7-8-10-12-19(21)22-4/h7,9,17-18H,8,10-16H2,1-6H3/b9-7-
InChIKeyHYTYHLKJTOUULE-CLFYSBASSA-N
MW386.61 g/mol
LogP4.53
Rot. Bonds11

About methyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate

methyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate (PubChem CID 70399185) has the molecular formula C20H38O5Si and a molecular weight of 386.61 g/mol. Its IUPAC name is methyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate.

Molecular Properties

Compound Namemethyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate
PubChem CID70399185
Molecular FormulaC20H38O5Si
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC Namemethyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate
SMILESCOC(=O)CCC/C=C\CC1COC(C)(CO[Si](C)(C)CC(C)C)OC1
InChIInChI=1S/C20H38O5Si/c1-17(2)15-26(5,6)25-16-20(3)23-13-18(14-24-20)11-9-7-8-10-12-19(21)22-4/h7,9,17-18H,8,10-16H2,1-6H3/b9-7-
InChIKeyHYTYHLKJTOUULE-CLFYSBASSA-N
XLogP4.53
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate with MolForge

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Related Compounds

(Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid
CID 70399511
methyl (Z)-7-(4-formyl-2-methyl-1,3-dioxan-5-yl)hept-5-enoate
CID 86743981
methyl 12-methyltridec-9-enoate
CID 140574334
methyl (Z)-7-[(1R,2R,3R,4S)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoate
CID 13240967
methyl (Z)-7-(3,3-dimethoxypyrrolidin-2-yl)hept-5-enoate
CID 59659430
methyl (5Z,8Z)-10-[(2R,3S)-3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoate
CID 125183159
methyl 14-methylpentadec-10-enoate
CID 118599301
methyl (E)-15-methylhexadec-11-enoate
CID 5364661
methyl (5Z,7E)-8-[(4R,5S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-dioxan-5-yl]octa-5,7-dienoate
CID 10870621
methyl dec-5-enoate
CID 54534253
methyl (Z)-7-hydroxyhept-5-enoate
CID 15586879
methyl undeca-5,9-dienoate
CID 57288687

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate?
The IUPAC name of methyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate (CID 70399185) is methyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate.
What is the SMILES notation for methyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate?
The canonical SMILES for methyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate is COC(=O)CCC/C=C\CC1COC(C)(CO[Si](C)(C)CC(C)C)OC1.
What is the InChIKey of methyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate?
The InChIKey is HYTYHLKJTOUULE-CLFYSBASSA-N. The full InChI is InChI=1S/C20H38O5Si/c1-17(2)15-26(5,6)25-16-20(3)23-13-18(14-24-20)11-9-7-8-10-12-19(21)22-4/h7,9,17-18H,8,10-16H2,1-6H3/b9-7-.
What are the key properties of methyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate?
methyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate has a molecular weight of 386.61 g/mol, XLogP of 4.53, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate is sourced from PubChem (CID 70399185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).