bis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene

C30H48O12 — CID 159713832

IUPACbis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene
SMILESC=C.O=C1CCCCC(=O)OCCCCO1.O=C1CCCCC(=O)OCCCCO1.O=C1CCCCC(=O)OCCO1
InChIInChI=1S/2C10H16O4.C8H12O4.C2H4/c2*11-9-5-1-2-6-10(12)14-8-4-3-7-13-9;9-7-3-1-2-4-8(10)12-6-5-11-7;1-2/h2*1-8H2;1-6H2;1-2H2
InChIKeyMZEFSKPJFRCTJR-UHFFFAOYSA-N
MW600.70 g/mol
LogP4.30
Rot. Bonds

About bis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene

bis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene (PubChem CID 159713832) has the molecular formula C30H48O12 and a molecular weight of 600.70 g/mol. Its IUPAC name is bis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene.

Molecular Properties

Compound Namebis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene
PubChem CID159713832
Molecular FormulaC30H48O12
Molecular Weight600.70 g/mol
Exact Mass600.31
IUPAC Namebis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene
SMILESC=C.O=C1CCCCC(=O)OCCCCO1.O=C1CCCCC(=O)OCCCCO1.O=C1CCCCC(=O)OCCO1
InChIInChI=1S/2C10H16O4.C8H12O4.C2H4/c2*11-9-5-1-2-6-10(12)14-8-4-3-7-13-9;9-7-3-1-2-4-8(10)12-6-5-11-7;1-2/h2*1-8H2;1-6H2;1-2H2
InChIKeyMZEFSKPJFRCTJR-UHFFFAOYSA-N
XLogP4.30
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.70
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene?
The IUPAC name of bis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene (CID 159713832) is bis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene.
What is the SMILES notation for bis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene?
The canonical SMILES for bis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene is C=C.O=C1CCCCC(=O)OCCCCO1.O=C1CCCCC(=O)OCCCCO1.O=C1CCCCC(=O)OCCO1.
What is the InChIKey of bis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene?
The InChIKey is MZEFSKPJFRCTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16O4.C8H12O4.C2H4/c2*11-9-5-1-2-6-10(12)14-8-4-3-7-13-9;9-7-3-1-2-4-8(10)12-6-5-11-7;1-2/h2*1-8H2;1-6H2;1-2H2.
What are the key properties of bis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene?
bis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene has a molecular weight of 600.70 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene is sourced from PubChem (CID 159713832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).