1,7-dioxacycloheptadecane-2,6-dione;ethane-1,2-diol

C17H32O6 — CID 67349555

IUPAC1,7-dioxacycloheptadecane-2,6-dione;ethane-1,2-diol
SMILESO=C1CCCC(=O)OCCCCCCCCCCO1.OCCO
InChIInChI=1S/C15H26O4.C2H6O2/c16-14-10-9-11-15(17)19-13-8-6-4-2-1-3-5-7-12-18-14;3-1-2-4/h1-13H2;3-4H,1-2H2
InChIKeyAXMVCWNPVUSDCP-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.35
Rot. Bonds1

About 1,7-dioxacycloheptadecane-2,6-dione;ethane-1,2-diol

1,7-dioxacycloheptadecane-2,6-dione;ethane-1,2-diol (PubChem CID 67349555) has the molecular formula C17H32O6 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1,7-dioxacycloheptadecane-2,6-dione;ethane-1,2-diol.

Molecular Properties

Compound Name1,7-dioxacycloheptadecane-2,6-dione;ethane-1,2-diol
PubChem CID67349555
Molecular FormulaC17H32O6
Molecular Weight332.44 g/mol
Exact Mass332.22
IUPAC Name1,7-dioxacycloheptadecane-2,6-dione;ethane-1,2-diol
SMILESO=C1CCCC(=O)OCCCCCCCCCCO1.OCCO
InChIInChI=1S/C15H26O4.C2H6O2/c16-14-10-9-11-15(17)19-13-8-6-4-2-1-3-5-7-12-18-14;3-1-2-4/h1-13H2;3-4H,1-2H2
InChIKeyAXMVCWNPVUSDCP-UHFFFAOYSA-N
XLogP2.35
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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1,6-dioxacyclotridecane-7,13-dione
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CID 174645985
1,8-dioxacyclotetradecane-2,7-dione;ethane-1,2-diol;terephthalic acid
CID 66962406
1,6-dioxacyclopentadecane-7,15-dione;1,6-dioxecane-2,5-dione
CID 175398471
1,6-dioxacyclohexadecane-2,5-dione
CID 22483454
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CID 121270960

Frequently Asked Questions

What is the IUPAC name of 1,7-dioxacycloheptadecane-2,6-dione;ethane-1,2-diol?
The IUPAC name of 1,7-dioxacycloheptadecane-2,6-dione;ethane-1,2-diol (CID 67349555) is 1,7-dioxacycloheptadecane-2,6-dione;ethane-1,2-diol.
What is the SMILES notation for 1,7-dioxacycloheptadecane-2,6-dione;ethane-1,2-diol?
The canonical SMILES for 1,7-dioxacycloheptadecane-2,6-dione;ethane-1,2-diol is O=C1CCCC(=O)OCCCCCCCCCCO1.OCCO.
What is the InChIKey of 1,7-dioxacycloheptadecane-2,6-dione;ethane-1,2-diol?
The InChIKey is AXMVCWNPVUSDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4.C2H6O2/c16-14-10-9-11-15(17)19-13-8-6-4-2-1-3-5-7-12-18-14;3-1-2-4/h1-13H2;3-4H,1-2H2.
What are the key properties of 1,7-dioxacycloheptadecane-2,6-dione;ethane-1,2-diol?
1,7-dioxacycloheptadecane-2,6-dione;ethane-1,2-diol has a molecular weight of 332.44 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dioxacycloheptadecane-2,6-dione;ethane-1,2-diol is sourced from PubChem (CID 67349555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).