bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate

C13H16O10 — CID 59449201

IUPACbis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate
SMILESO=C(CCCC(=O)OCC1COC(=O)O1)OCC1COC(=O)O1
InChIInChI=1S/C13H16O10/c14-10(18-4-8-6-20-12(16)22-8)2-1-3-11(15)19-5-9-7-21-13(17)23-9/h8-9H,1-7H2
InChIKeySVMIILQIJCXHOX-UHFFFAOYSA-N
MW332.26 g/mol
LogP0.31
Rot. Bonds8

About bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate

bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate (PubChem CID 59449201) has the molecular formula C13H16O10 and a molecular weight of 332.26 g/mol. Its IUPAC name is bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate.

Molecular Properties

Compound Namebis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate
PubChem CID59449201
Molecular FormulaC13H16O10
Molecular Weight332.26 g/mol
Exact Mass332.07
IUPAC Namebis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate
SMILESO=C(CCCC(=O)OCC1COC(=O)O1)OCC1COC(=O)O1
InChIInChI=1S/C13H16O10/c14-10(18-4-8-6-20-12(16)22-8)2-1-3-11(15)19-5-9-7-21-13(17)23-9/h8-9H,1-7H2
InChIKeySVMIILQIJCXHOX-UHFFFAOYSA-N
XLogP0.31
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl dodecanoate
CID 10334978
bis[(2-oxo-1,3-dioxolan-4-yl)methyl] (E)-icos-10-enedioate
CID 132917919
(2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate
CID 102112461
(2-oxo-1,3-dioxolan-4-yl)methyl 3-oxobutanoate
CID 157036865
(2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
CID 14765868
1-O-[(2-methylidene-1,3-dioxolan-4-yl)methyl] 3-O-[(2-oxo-1,3-dioxolan-4-yl)methyl] propanedioate
CID 158834493
(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate
CID 87396873
(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate
CID 150514849
ethane;(2-oxo-1,3-dioxolan-4-yl)methyl N-methylcarbamate
CID 145367345
(2-oxo-1,3-dioxolan-4-yl)methyl 6-bromo-2-methylidenehexanoate
CID 164883595
[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylpentanoate
CID 159032301
(2-oxo-1,3-dioxolan-4-yl)methyl N,N-dioctylcarbamate
CID 66882543

Frequently Asked Questions

What is the IUPAC name of bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate?
The IUPAC name of bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate (CID 59449201) is bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate.
What is the SMILES notation for bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate?
The canonical SMILES for bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate is O=C(CCCC(=O)OCC1COC(=O)O1)OCC1COC(=O)O1.
What is the InChIKey of bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate?
The InChIKey is SVMIILQIJCXHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O10/c14-10(18-4-8-6-20-12(16)22-8)2-1-3-11(15)19-5-9-7-21-13(17)23-9/h8-9H,1-7H2.
What are the key properties of bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate?
bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate has a molecular weight of 332.26 g/mol, XLogP of 0.31, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate is sourced from PubChem (CID 59449201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).