diethyl (2R)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate

C14H24O6 — CID 10266112

IUPACdiethyl (2R)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate
SMILESCCOC(=O)CC[C@@](C)(C(=O)OCC)C1(C)OCCO1
InChIInChI=1S/C14H24O6/c1-5-17-11(15)7-8-13(3,12(16)18-6-2)14(4)19-9-10-20-14/h5-10H2,1-4H3/t13-/m0/s1
InChIKeyUJMMUXDRODCPFX-ZDUSSCGKSA-N
MW288.34 g/mol
LogP1.66
Rot. Bonds7

About diethyl (2R)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate

diethyl (2R)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate (PubChem CID 10266112) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is diethyl (2R)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate.

Molecular Properties

Compound Namediethyl (2R)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate
PubChem CID10266112
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Namediethyl (2R)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate
SMILESCCOC(=O)CC[C@@](C)(C(=O)OCC)C1(C)OCCO1
InChIInChI=1S/C14H24O6/c1-5-17-11(15)7-8-13(3,12(16)18-6-2)14(4)19-9-10-20-14/h5-10H2,1-4H3/t13-/m0/s1
InChIKeyUJMMUXDRODCPFX-ZDUSSCGKSA-N
XLogP1.66
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4,4-dihydroxypentanoate
CID 123268886
tetraethyl propane-1,1,1,3-tetracarboxylate
CID 90920632
diethyl (2R)-2-acetyl-2-aminopentanedioate
CID 139979489
diethyl 2,2-dibromopentanedioate
CID 54436079
ethyl 4,4-diethoxypentanoate
CID 523027
ethyl 4-hydroxy-4,6-dimethylhept-5-enoate
CID 66323403
diethyl 2,2-diethylhexanedioate
CID 138680184
1-O,5-O-ditert-butyl 3-O-ethyl 3-acetylpentane-1,3,5-tricarboxylate
CID 59379790
diethyl 2-methyl-2-nitropentanedioate
CID 10060515
ethyl 2-(2,2-dimethyl-1,3-dioxan-4-yl)-2-methylpropanoate
CID 121003845
ethyl 4-hydroperoxy-4-hydroxypentanoate
CID 12522765
ethyl 4-(2-methyloxan-2-yl)-4-oxobutanoate
CID 80681018

Frequently Asked Questions

What is the IUPAC name of diethyl (2R)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate?
The IUPAC name of diethyl (2R)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate (CID 10266112) is diethyl (2R)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate.
What is the SMILES notation for diethyl (2R)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate?
The canonical SMILES for diethyl (2R)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate is CCOC(=O)CC[C@@](C)(C(=O)OCC)C1(C)OCCO1.
What is the InChIKey of diethyl (2R)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate?
The InChIKey is UJMMUXDRODCPFX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24O6/c1-5-17-11(15)7-8-13(3,12(16)18-6-2)14(4)19-9-10-20-14/h5-10H2,1-4H3/t13-/m0/s1.
What are the key properties of diethyl (2R)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate?
diethyl (2R)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate has a molecular weight of 288.34 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate is sourced from PubChem (CID 10266112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).