ethyl 4-(2-ethoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane-2-carboxylate

C14H22O8 — CID 70875273

IUPACethyl 4-(2-ethoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane-2-carboxylate
SMILESCCOC(=O)C1(C)OCC(C2COC(C)(C(=O)OCC)O2)O1
InChIInChI=1S/C14H22O8/c1-5-17-11(15)13(3)19-7-9(21-13)10-8-20-14(4,22-10)12(16)18-6-2/h9-10H,5-8H2,1-4H3
InChIKeyHGNGSIDLFZNJKV-UHFFFAOYSA-N
MW318.32 g/mol
LogP0.38
Rot. Bonds5

About ethyl 4-(2-ethoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane-2-carboxylate

ethyl 4-(2-ethoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane-2-carboxylate (PubChem CID 70875273) has the molecular formula C14H22O8 and a molecular weight of 318.32 g/mol. Its IUPAC name is ethyl 4-(2-ethoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane-2-carboxylate
PubChem CID70875273
Molecular FormulaC14H22O8
Molecular Weight318.32 g/mol
Exact Mass318.13
IUPAC Nameethyl 4-(2-ethoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane-2-carboxylate
SMILESCCOC(=O)C1(C)OCC(C2COC(C)(C(=O)OCC)O2)O1
InChIInChI=1S/C14H22O8/c1-5-17-11(15)13(3)19-7-9(21-13)10-8-20-14(4,22-10)12(16)18-6-2/h9-10H,5-8H2,1-4H3
InChIKeyHGNGSIDLFZNJKV-UHFFFAOYSA-N
XLogP0.38
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane-2-carboxylate?
The IUPAC name of ethyl 4-(2-ethoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane-2-carboxylate (CID 70875273) is ethyl 4-(2-ethoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane-2-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane-2-carboxylate?
The canonical SMILES for ethyl 4-(2-ethoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane-2-carboxylate is CCOC(=O)C1(C)OCC(C2COC(C)(C(=O)OCC)O2)O1.
What is the InChIKey of ethyl 4-(2-ethoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane-2-carboxylate?
The InChIKey is HGNGSIDLFZNJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O8/c1-5-17-11(15)13(3)19-7-9(21-13)10-8-20-14(4,22-10)12(16)18-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of ethyl 4-(2-ethoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane-2-carboxylate?
ethyl 4-(2-ethoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane-2-carboxylate has a molecular weight of 318.32 g/mol, XLogP of 0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane-2-carboxylate is sourced from PubChem (CID 70875273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).