2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol

C19H36O6 — CID 70414102

IUPAC2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol
SMILESCC1COC(=O)CCCCCCCCCCC(=O)OC1C.OCCO
InChIInChI=1S/C17H30O4.C2H6O2/c1-14-13-20-16(18)11-9-7-5-3-4-6-8-10-12-17(19)21-15(14)2;3-1-2-4/h14-15H,3-13H2,1-2H3;3-4H,1-2H2
InChIKeyGHYILDRULCDAKG-UHFFFAOYSA-N
MW360.49 g/mol
LogP2.98
Rot. Bonds1

About 2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol

2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol (PubChem CID 70414102) has the molecular formula C19H36O6 and a molecular weight of 360.49 g/mol. Its IUPAC name is 2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol.

Molecular Properties

Compound Name2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol
PubChem CID70414102
Molecular FormulaC19H36O6
Molecular Weight360.49 g/mol
Exact Mass360.25
IUPAC Name2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol
SMILESCC1COC(=O)CCCCCCCCCCC(=O)OC1C.OCCO
InChIInChI=1S/C17H30O4.C2H6O2/c1-14-13-20-16(18)11-9-7-5-3-4-6-8-10-12-17(19)21-15(14)2;3-1-2-4/h14-15H,3-13H2,1-2H3;3-4H,1-2H2
InChIKeyGHYILDRULCDAKG-UHFFFAOYSA-N
XLogP2.98
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol?
The IUPAC name of 2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol (CID 70414102) is 2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol.
What is the SMILES notation for 2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol?
The canonical SMILES for 2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol is CC1COC(=O)CCCCCCCCCCC(=O)OC1C.OCCO.
What is the InChIKey of 2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol?
The InChIKey is GHYILDRULCDAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4.C2H6O2/c1-14-13-20-16(18)11-9-7-5-3-4-6-8-10-12-17(19)21-15(14)2;3-1-2-4/h14-15H,3-13H2,1-2H3;3-4H,1-2H2.
What are the key properties of 2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol?
2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol has a molecular weight of 360.49 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol is sourced from PubChem (CID 70414102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).