2-methyl-1,4-dioxecane-5,10-dione

C9H14O4 — CID 11971122

IUPAC2-methyl-1,4-dioxecane-5,10-dione
SMILESCC1COC(=O)CCCCC(=O)O1
InChIInChI=1S/C9H14O4/c1-7-6-12-8(10)4-2-3-5-9(11)13-7/h7H,2-6H2,1H3
InChIKeyVGHCVSPDKSEROA-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.04
Rot. Bonds

About 2-methyl-1,4-dioxecane-5,10-dione

2-methyl-1,4-dioxecane-5,10-dione (PubChem CID 11971122) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-methyl-1,4-dioxecane-5,10-dione.

Molecular Properties

Compound Name2-methyl-1,4-dioxecane-5,10-dione
PubChem CID11971122
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name2-methyl-1,4-dioxecane-5,10-dione
SMILESCC1COC(=O)CCCCC(=O)O1
InChIInChI=1S/C9H14O4/c1-7-6-12-8(10)4-2-3-5-9(11)13-7/h7H,2-6H2,1H3
InChIKeyVGHCVSPDKSEROA-UHFFFAOYSA-N
XLogP1.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-dioxecane-5,10-dione?
The IUPAC name of 2-methyl-1,4-dioxecane-5,10-dione (CID 11971122) is 2-methyl-1,4-dioxecane-5,10-dione.
What is the SMILES notation for 2-methyl-1,4-dioxecane-5,10-dione?
The canonical SMILES for 2-methyl-1,4-dioxecane-5,10-dione is CC1COC(=O)CCCCC(=O)O1.
What is the InChIKey of 2-methyl-1,4-dioxecane-5,10-dione?
The InChIKey is VGHCVSPDKSEROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-7-6-12-8(10)4-2-3-5-9(11)13-7/h7H,2-6H2,1H3.
What are the key properties of 2-methyl-1,4-dioxecane-5,10-dione?
2-methyl-1,4-dioxecane-5,10-dione has a molecular weight of 186.21 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-dioxecane-5,10-dione is sourced from PubChem (CID 11971122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).