methyl (2R,4E,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate

C19H24O7 — CID 10737487

IUPACmethyl (2R,4E,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate
SMILESCOC(=O)/C=C1\C[C@H](COCc2ccc(OC)cc2)O[C@@H](C(=O)OC)C1
InChIInChI=1S/C19H24O7/c1-22-15-6-4-13(5-7-15)11-25-12-16-8-14(10-18(20)23-2)9-17(26-16)19(21)24-3/h4-7,10,16-17H,8-9,11-12H2,1-3H3/b14-10+/t16-,17-/m1/s1
InChIKeyFVJIAZFSUKYFCR-PNUWANSTSA-N
MW364.39 g/mol
LogP2.03
Rot. Bonds7

About methyl (2R,4E,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate

methyl (2R,4E,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate (PubChem CID 10737487) has the molecular formula C19H24O7 and a molecular weight of 364.39 g/mol. Its IUPAC name is methyl (2R,4E,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4E,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate
PubChem CID10737487
Molecular FormulaC19H24O7
Molecular Weight364.39 g/mol
Exact Mass364.15
IUPAC Namemethyl (2R,4E,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate
SMILESCOC(=O)/C=C1\C[C@H](COCc2ccc(OC)cc2)O[C@@H](C(=O)OC)C1
InChIInChI=1S/C19H24O7/c1-22-15-6-4-13(5-7-15)11-25-12-16-8-14(10-18(20)23-2)9-17(26-16)19(21)24-3/h4-7,10,16-17H,8-9,11-12H2,1-3H3/b14-10+/t16-,17-/m1/s1
InChIKeyFVJIAZFSUKYFCR-PNUWANSTSA-N
XLogP2.03
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl (2R,4E,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate with MolForge

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Related Compounds

cis-(1S,2R)-2-[(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carbaldehyde
CID 102072898
methyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate
CID 101373892
(4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol
CID 171123464
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxirane-2-carbaldehyde
CID 57060202
2-[6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
CID 72756651
ethyl (E)-3-[(2S,4R,6S)-6-[(4-methoxyphenyl)methoxymethyl]-2-phenyl-1,3-dioxan-4-yl]prop-2-enoate
CID 72711234
ethyl (Z)-3-[(2S,4R,6S)-6-[(4-methoxyphenyl)methoxymethyl]-2-phenyl-1,3-dioxan-4-yl]prop-2-enoate
CID 72711456
(4S)-4-[(2S,3S,5S)-3-[(4-methoxyphenyl)methoxy]-5-(phenylmethoxymethyl)oxolan-2-yl]-1-(triphenyl-λ5-phosphanylidene)pentan-2-one
CID 10963449
methyl 5-[(4-methoxyphenyl)methoxymethyl]-1-methyl-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylate
CID 102442352
methyl (Z)-4-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]but-2-enoate
CID 11003283
methyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate
CID 19874542

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4E,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate?
The IUPAC name of methyl (2R,4E,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate (CID 10737487) is methyl (2R,4E,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate.
What is the SMILES notation for methyl (2R,4E,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate?
The canonical SMILES for methyl (2R,4E,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate is COC(=O)/C=C1\C[C@H](COCc2ccc(OC)cc2)O[C@@H](C(=O)OC)C1.
What is the InChIKey of methyl (2R,4E,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate?
The InChIKey is FVJIAZFSUKYFCR-PNUWANSTSA-N. The full InChI is InChI=1S/C19H24O7/c1-22-15-6-4-13(5-7-15)11-25-12-16-8-14(10-18(20)23-2)9-17(26-16)19(21)24-3/h4-7,10,16-17H,8-9,11-12H2,1-3H3/b14-10+/t16-,17-/m1/s1.
What are the key properties of methyl (2R,4E,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate?
methyl (2R,4E,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate has a molecular weight of 364.39 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4E,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate is sourced from PubChem (CID 10737487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).