methyl 4-[5-methoxycarbonyl-2-(2-methoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-5-methyloxolan-3-yl]-2-methyl-1,3-dioxolane-2-carboxylate

C19H28O11 — CID 70801957

IUPACmethyl 4-[5-methoxycarbonyl-2-(2-methoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-5-methyloxolan-3-yl]-2-methyl-1,3-dioxolane-2-carboxylate
SMILESCOC(=O)C1(C)CC(C2COC(C)(C(=O)OC)O2)C(C2COC(C)(C(=O)OC)O2)O1
InChIInChI=1S/C19H28O11/c1-17(14(20)23-4)7-10(11-8-26-18(2,28-11)15(21)24-5)13(30-17)12-9-27-19(3,29-12)16(22)25-6/h10-13H,7-9H2,1-6H3
InChIKeyRFCHVGGNIKUKMT-UHFFFAOYSA-N
MW432.42 g/mol
LogP-0.07
Rot. Bonds5

About methyl 4-[5-methoxycarbonyl-2-(2-methoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-5-methyloxolan-3-yl]-2-methyl-1,3-dioxolane-2-carboxylate

methyl 4-[5-methoxycarbonyl-2-(2-methoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-5-methyloxolan-3-yl]-2-methyl-1,3-dioxolane-2-carboxylate (PubChem CID 70801957) has the molecular formula C19H28O11 and a molecular weight of 432.42 g/mol. Its IUPAC name is methyl 4-[5-methoxycarbonyl-2-(2-methoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-5-methyloxolan-3-yl]-2-methyl-1,3-dioxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-methoxycarbonyl-2-(2-methoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-5-methyloxolan-3-yl]-2-methyl-1,3-dioxolane-2-carboxylate
PubChem CID70801957
Molecular FormulaC19H28O11
Molecular Weight432.42 g/mol
Exact Mass432.16
IUPAC Namemethyl 4-[5-methoxycarbonyl-2-(2-methoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-5-methyloxolan-3-yl]-2-methyl-1,3-dioxolane-2-carboxylate
SMILESCOC(=O)C1(C)CC(C2COC(C)(C(=O)OC)O2)C(C2COC(C)(C(=O)OC)O2)O1
InChIInChI=1S/C19H28O11/c1-17(14(20)23-4)7-10(11-8-26-18(2,28-11)15(21)24-5)13(30-17)12-9-27-19(3,29-12)16(22)25-6/h10-13H,7-9H2,1-6H3
InChIKeyRFCHVGGNIKUKMT-UHFFFAOYSA-N
XLogP-0.07
TPSA125.05 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.42
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze methyl 4-[5-methoxycarbonyl-2-(2-methoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-5-methyloxolan-3-yl]-2-methyl-1,3-dioxolane-2-carboxylate with MolForge

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Related Compounds

Ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methoxypropanoate
CID 135038660
(3R,5S,6S)-3,5-dimethyl-6-[(2R,4S,5R)-4-methyl-5-[(2S,5R)-2-methyl-5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]oxolan-2-yl]oxan-2-one
CID 177256818
1-[2-Methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone
CID 58219228
8-Ethyl-22-methoxy-4,10,14,16,21,23,25-heptamethyl-19,28,29,30,31-pentaoxapentacyclo[22.3.1.11,4.15,8.19,12]hentriacontane-13,17,20,26-tetrone
CID 67678703
[2-(4-Ethoxy-4-methyl-3-oxohexyl)-2-methyl-1,3-dioxolan-4-yl]methyl 3-(2,4-dimethyl-1,3-dioxolan-2-yl)propanoate
CID 122697607
6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a-propyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
CID 124004048
methyl 2-[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,5-dimethyloxolan-2-yl]acetate
CID 129184903
(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
CID 134251166
6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
CID 134423314
(5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethoxyoxolan-2-one
CID 10593667
ethyl (1S,2R,6R,8S,9S,10R)-9-acetyloxy-10-(2-ethoxy-2-oxoethyl)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate
CID 10916427
methyl 3-[(3aS,5R,6S,6aS)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,6-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]propanoate
CID 11013346

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-methoxycarbonyl-2-(2-methoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-5-methyloxolan-3-yl]-2-methyl-1,3-dioxolane-2-carboxylate?
The IUPAC name of methyl 4-[5-methoxycarbonyl-2-(2-methoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-5-methyloxolan-3-yl]-2-methyl-1,3-dioxolane-2-carboxylate (CID 70801957) is methyl 4-[5-methoxycarbonyl-2-(2-methoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-5-methyloxolan-3-yl]-2-methyl-1,3-dioxolane-2-carboxylate.
What is the SMILES notation for methyl 4-[5-methoxycarbonyl-2-(2-methoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-5-methyloxolan-3-yl]-2-methyl-1,3-dioxolane-2-carboxylate?
The canonical SMILES for methyl 4-[5-methoxycarbonyl-2-(2-methoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-5-methyloxolan-3-yl]-2-methyl-1,3-dioxolane-2-carboxylate is COC(=O)C1(C)CC(C2COC(C)(C(=O)OC)O2)C(C2COC(C)(C(=O)OC)O2)O1.
What is the InChIKey of methyl 4-[5-methoxycarbonyl-2-(2-methoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-5-methyloxolan-3-yl]-2-methyl-1,3-dioxolane-2-carboxylate?
The InChIKey is RFCHVGGNIKUKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O11/c1-17(14(20)23-4)7-10(11-8-26-18(2,28-11)15(21)24-5)13(30-17)12-9-27-19(3,29-12)16(22)25-6/h10-13H,7-9H2,1-6H3.
What are the key properties of methyl 4-[5-methoxycarbonyl-2-(2-methoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-5-methyloxolan-3-yl]-2-methyl-1,3-dioxolane-2-carboxylate?
methyl 4-[5-methoxycarbonyl-2-(2-methoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-5-methyloxolan-3-yl]-2-methyl-1,3-dioxolane-2-carboxylate has a molecular weight of 432.42 g/mol, XLogP of -0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-methoxycarbonyl-2-(2-methoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-5-methyloxolan-3-yl]-2-methyl-1,3-dioxolane-2-carboxylate is sourced from PubChem (CID 70801957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).