[2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate

C12H18O7 — CID 154641855

IUPAC[2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate
SMILESCC1(CC(=O)OC(=O)CC2(C)OCCO2)OCCO1
InChIInChI=1S/C12H18O7/c1-11(15-3-4-16-11)7-9(13)19-10(14)8-12(2)17-5-6-18-12/h3-8H2,1-2H3
InChIKeyLKNIICGTYWWIAU-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.36
Rot. Bonds4

About [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate

[2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate (PubChem CID 154641855) has the molecular formula C12H18O7 and a molecular weight of 274.27 g/mol. Its IUPAC name is [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate.

Molecular Properties

Compound Name[2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate
PubChem CID154641855
Molecular FormulaC12H18O7
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name[2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate
SMILESCC1(CC(=O)OC(=O)CC2(C)OCCO2)OCCO1
InChIInChI=1S/C12H18O7/c1-11(15-3-4-16-11)7-9(13)19-10(14)8-12(2)17-5-6-18-12/h3-8H2,1-2H3
InChIKeyLKNIICGTYWWIAU-UHFFFAOYSA-N
XLogP0.36
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2,5-dimethyl-1,3-dioxan-2-yl)acetate
CID 143088707
methyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate
CID 130129881
diethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate
CID 131876842
methyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate
CID 57358884
Se-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate
CID 13496983
(E)-imino-[1-methoxy-4-(2-methyl-1,3-dioxolan-2-yl)-1-oxobutan-2-ylidene]azanium
CID 20831968
(4-nitrophenyl)methyl 4-(2-methyl-1,3-dioxolan-2-yl)-3-oxobutanoate
CID 21253089
1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea
CID 130621364
ethyl 2-(2-methyl-1,3-dioxan-2-yl)acetate;ethyl 1,2,5,5-tetramethylcyclohexane-1-carboxylate
CID 175751991
[3,9-dimethyl-3-(propanoyloxymethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]methyl propanoate
CID 24885943
[3-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopentyl] acetate
CID 131856151
N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide
CID 20642171

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate?
The IUPAC name of [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate (CID 154641855) is [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate.
What is the SMILES notation for [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate?
The canonical SMILES for [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate is CC1(CC(=O)OC(=O)CC2(C)OCCO2)OCCO1.
What is the InChIKey of [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate?
The InChIKey is LKNIICGTYWWIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O7/c1-11(15-3-4-16-11)7-9(13)19-10(14)8-12(2)17-5-6-18-12/h3-8H2,1-2H3.
What are the key properties of [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate?
[2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate has a molecular weight of 274.27 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate is sourced from PubChem (CID 154641855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).