methyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate

C25H42O5Si — CID 24905826

IUPACmethyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate
SMILESCOC(=O)/C=C/C[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)OCc1ccc(OC)cc1
InChIInChI=1S/C25H42O5Si/c1-19(2)31(20(3)4,21(5)6)30-17-16-24(10-9-11-25(26)28-8)29-18-22-12-14-23(27-7)15-13-22/h9,11-15,19-21,24H,10,16-18H2,1-8H3/b11-9+/t24-/m1/s1
InChIKeyZZYFGOCORDOSLT-KMEWNKIWSA-N
MW450.69 g/mol
LogP6.28
Rot. Bonds14

About methyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate

methyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate (PubChem CID 24905826) has the molecular formula C25H42O5Si and a molecular weight of 450.69 g/mol. Its IUPAC name is methyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate.

Molecular Properties

Compound Namemethyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate
PubChem CID24905826
Molecular FormulaC25H42O5Si
Molecular Weight450.69 g/mol
Exact Mass450.28
IUPAC Namemethyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate
SMILESCOC(=O)/C=C/C[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)OCc1ccc(OC)cc1
InChIInChI=1S/C25H42O5Si/c1-19(2)31(20(3)4,21(5)6)30-17-16-24(10-9-11-25(26)28-8)29-18-22-12-14-23(27-7)15-13-22/h9,11-15,19-21,24H,10,16-18H2,1-8H3/b11-9+/t24-/m1/s1
InChIKeyZZYFGOCORDOSLT-KMEWNKIWSA-N
XLogP6.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.69
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate with MolForge

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Related Compounds

methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]hex-2-enoate
CID 11234824
5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]pentanal
CID 75162787
methyl (E,5R)-5-hydroxy-6-(4-methoxyphenoxy)hex-2-enoate
CID 134916379
[(3S,5R)-3-[(4S,6S,8S)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-4-methylundec-1-en-2-yl]oxy-5-(phenylmethoxymethoxy)hept-6-enoxy]-tri(propan-2-yl)silane
CID 24905875
(E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol
CID 56926948
[(E,2R)-6-ethoxy-6-oxohex-4-en-2-yl] (E,5S,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]oct-2-enoate
CID 24756277
(Z,2S)-2-[(4-methoxyphenyl)methoxy]hex-4-en-3-one
CID 121458348
2-[(4-methoxyphenyl)methoxy]hex-4-en-3-one
CID 78069334
ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate
CID 53380978
[(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane
CID 15236554
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
4-O-[(4-methoxyphenyl)methyl] 1-O-(4-methylpentyl) (E)-but-2-enedioate
CID 91715760

Frequently Asked Questions

What is the IUPAC name of methyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate?
The IUPAC name of methyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate (CID 24905826) is methyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate.
What is the SMILES notation for methyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate?
The canonical SMILES for methyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate is COC(=O)/C=C/C[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)OCc1ccc(OC)cc1.
What is the InChIKey of methyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate?
The InChIKey is ZZYFGOCORDOSLT-KMEWNKIWSA-N. The full InChI is InChI=1S/C25H42O5Si/c1-19(2)31(20(3)4,21(5)6)30-17-16-24(10-9-11-25(26)28-8)29-18-22-12-14-23(27-7)15-13-22/h9,11-15,19-21,24H,10,16-18H2,1-8H3/b11-9+/t24-/m1/s1.
What are the key properties of methyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate?
methyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate has a molecular weight of 450.69 g/mol, XLogP of 6.28, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate is sourced from PubChem (CID 24905826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).