bis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate

C11H14O9 — CID 165178075

IUPACbis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate
SMILESO=C(OCCC1COC(=O)O1)OCCC1COC(=O)O1
InChIInChI=1S/C11H14O9/c12-9(15-3-1-7-5-17-10(13)19-7)16-4-2-8-6-18-11(14)20-8/h7-8H,1-6H2
InChIKeyNODRPCRVJVNJLQ-UHFFFAOYSA-N
MW290.22 g/mol
LogP0.99
Rot. Bonds6

About bis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate

bis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate (PubChem CID 165178075) has the molecular formula C11H14O9 and a molecular weight of 290.22 g/mol. Its IUPAC name is bis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate.

Molecular Properties

Compound Namebis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate
PubChem CID165178075
Molecular FormulaC11H14O9
Molecular Weight290.22 g/mol
Exact Mass290.06
IUPAC Namebis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate
SMILESO=C(OCCC1COC(=O)O1)OCCC1COC(=O)O1
InChIInChI=1S/C11H14O9/c12-9(15-3-1-7-5-17-10(13)19-7)16-4-2-8-6-18-11(14)20-8/h7-8H,1-6H2
InChIKeyNODRPCRVJVNJLQ-UHFFFAOYSA-N
XLogP0.99
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate
CID 22381518
bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate
CID 59449201
dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one
CID 174821421
(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 10080384
4-(aminomethyl)-1,3-dioxolan-2-one
CID 22011126
(4R)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 11819074
(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate
CID 150514849
4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one
CID 70218868
(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate
CID 87396873
5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate
CID 59566554
4-butyl-1,3-dioxolan-2-one
CID 162009451
(2-oxo-1,3-dioxolan-4-yl)methyl 3-oxobutanoate
CID 157036865

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate?
The IUPAC name of bis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate (CID 165178075) is bis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate.
What is the SMILES notation for bis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate?
The canonical SMILES for bis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate is O=C(OCCC1COC(=O)O1)OCCC1COC(=O)O1.
What is the InChIKey of bis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate?
The InChIKey is NODRPCRVJVNJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O9/c12-9(15-3-1-7-5-17-10(13)19-7)16-4-2-8-6-18-11(14)20-8/h7-8H,1-6H2.
What are the key properties of bis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate?
bis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate has a molecular weight of 290.22 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate is sourced from PubChem (CID 165178075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).