methyl (E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(oxan-2-yloxy)hex-4-en-2-ynoate

C19H32O5Si — CID 25194275

IUPACmethyl (E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(oxan-2-yloxy)hex-4-en-2-ynoate
SMILESCOC(=O)C#C/C(=C\COC1CCCCO1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O5Si/c1-19(2,3)25(5,6)24-15-16(10-11-17(20)21-4)12-14-23-18-9-7-8-13-22-18/h12,18H,7-9,13-15H2,1-6H3/b16-12+
InChIKeyXSBYPNWTZKZEKI-FOWTUZBSSA-N
MW368.55 g/mol
LogP3.65
Rot. Bonds6

About methyl (E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(oxan-2-yloxy)hex-4-en-2-ynoate

methyl (E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(oxan-2-yloxy)hex-4-en-2-ynoate (PubChem CID 25194275) has the molecular formula C19H32O5Si and a molecular weight of 368.55 g/mol. Its IUPAC name is methyl (E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(oxan-2-yloxy)hex-4-en-2-ynoate.

Molecular Properties

Compound Namemethyl (E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(oxan-2-yloxy)hex-4-en-2-ynoate
PubChem CID25194275
Molecular FormulaC19H32O5Si
Molecular Weight368.55 g/mol
Exact Mass368.20
IUPAC Namemethyl (E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(oxan-2-yloxy)hex-4-en-2-ynoate
SMILESCOC(=O)C#C/C(=C\COC1CCCCO1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O5Si/c1-19(2,3)25(5,6)24-15-16(10-11-17(20)21-4)12-14-23-18-9-7-8-13-22-18/h12,18H,7-9,13-15H2,1-6H3/b16-12+
InChIKeyXSBYPNWTZKZEKI-FOWTUZBSSA-N
XLogP3.65
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane
CID 11210861
tert-butyl-[(E,2R)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane
CID 134866404
2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5H-oxasilole
CID 134976827
tert-butyl-dimethyl-[(E)-3-methyl-4-(oxan-2-yloxy)but-2-enoxy]silane
CID 10661983
ethyl (7E,11E)-4-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoate
CID 15726385
tert-butyl-dimethyl-[(Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoxy]silane
CID 23249366
methyl (Z)-6-(oxan-2-yloxy)-4-(oxan-2-yloxymethyl)hex-4-en-2-ynoate
CID 25192663
[(Z,3R)-7-methyl-8-(oxan-2-yloxy)-1-trimethylsilyloct-6-en-1-yn-3-yl] acetate
CID 101440387
[(Z,3S)-7-methyl-8-(oxan-2-yloxy)-1-trimethylsilyloct-6-en-1-yn-3-yl] acetate
CID 101440388

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(oxan-2-yloxy)hex-4-en-2-ynoate?
The IUPAC name of methyl (E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(oxan-2-yloxy)hex-4-en-2-ynoate (CID 25194275) is methyl (E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(oxan-2-yloxy)hex-4-en-2-ynoate.
What is the SMILES notation for methyl (E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(oxan-2-yloxy)hex-4-en-2-ynoate?
The canonical SMILES for methyl (E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(oxan-2-yloxy)hex-4-en-2-ynoate is COC(=O)C#C/C(=C\COC1CCCCO1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(oxan-2-yloxy)hex-4-en-2-ynoate?
The InChIKey is XSBYPNWTZKZEKI-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H32O5Si/c1-19(2,3)25(5,6)24-15-16(10-11-17(20)21-4)12-14-23-18-9-7-8-13-22-18/h12,18H,7-9,13-15H2,1-6H3/b16-12+.
What are the key properties of methyl (E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(oxan-2-yloxy)hex-4-en-2-ynoate?
methyl (E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(oxan-2-yloxy)hex-4-en-2-ynoate has a molecular weight of 368.55 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(oxan-2-yloxy)hex-4-en-2-ynoate is sourced from PubChem (CID 25194275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).