ethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate

C17H26O7 — CID 5471938

IUPACethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C\[C@@]1(C)O[C@@H](C)[C@@](C)(OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C17H26O7/c1-8-21-14(20)10(2)9-16(6)15(22-12(4)18)17(7,11(3)23-16)24-13(5)19/h9,11,15H,8H2,1-7H3/b10-9-/t11-,15+,16+,17+/m0/s1
InChIKeyATKWMARGMORDPP-ZXFOITDLSA-N
MW342.39 g/mol
LogP1.93
Rot. Bonds5

About ethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate

ethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate (PubChem CID 5471938) has the molecular formula C17H26O7 and a molecular weight of 342.39 g/mol. Its IUPAC name is ethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate
PubChem CID5471938
Molecular FormulaC17H26O7
Molecular Weight342.39 g/mol
Exact Mass342.17
IUPAC Nameethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C\[C@@]1(C)O[C@@H](C)[C@@](C)(OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C17H26O7/c1-8-21-14(20)10(2)9-16(6)15(22-12(4)18)17(7,11(3)23-16)24-13(5)19/h9,11,15H,8H2,1-7H3/b10-9-/t11-,15+,16+,17+/m0/s1
InChIKeyATKWMARGMORDPP-ZXFOITDLSA-N
XLogP1.93
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,4S,5R)-4-acetyloxy-6-methylidene-5-prop-1-en-2-ylcyclohex-2-en-1-yl] (E)-2-methylbut-2-enoate
CID 163189224
[(1S,4S,5R)-4-acetyloxy-6-methylidene-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-methylbut-2-enoate
CID 162869391
ethyl (3aR,5Z,8E,12E,15aS)-2,2,3a,9,13-pentamethyl-7,10,11,14,15,15a-hexahydro-4H-cyclotetradeca[d][1,3]dioxole-6-carboxylate
CID 11268895
ethyl (Z,6S,7R,8S)-8-acetyloxy-2,7-dimethyl-6-[(2-methylpropan-2-yl)oxy]undec-2-enoate
CID 11417376
ethyl (3aR,5E,8E,12E,15aS)-2,2,3a,9,13-pentamethyl-7,10,11,14,15,15a-hexahydro-4H-cyclotetradeca[d][1,3]dioxole-6-carboxylate
CID 134918884
[(3E)-4-methyl-1-(2-methyl-5-oxofuran-2-yl)hexa-3,5-dienyl] (E)-4-methylpent-2-enoate
CID 134971668
[(5R,7R)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl] acetate
CID 135017518
[(5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl] acetate
CID 135040408
ethyl (E)-2-methyl-3-[(3R)-2-methyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]oxiran-2-yl]prop-2-enoate
CID 139252219
[(E,3R,4R,5S)-4,5-diacetyloxy-6-methyl-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]hept-1-en-3-yl] acetate
CID 162402951
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-2-nonyl-3H-pyran-6-one
CID 11336684
ethyl (2E)-2-[(3S,4S)-4-methoxy-3-propyloxolan-2-ylidene]acetate
CID 11481582

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate (CID 5471938) is ethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate is CCOC(=O)/C(C)=C\[C@@]1(C)O[C@@H](C)[C@@](C)(OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of ethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate?
The InChIKey is ATKWMARGMORDPP-ZXFOITDLSA-N. The full InChI is InChI=1S/C17H26O7/c1-8-21-14(20)10(2)9-16(6)15(22-12(4)18)17(7,11(3)23-16)24-13(5)19/h9,11,15H,8H2,1-7H3/b10-9-/t11-,15+,16+,17+/m0/s1.
What are the key properties of ethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate?
ethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate has a molecular weight of 342.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate is sourced from PubChem (CID 5471938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).