2-ethyl-1,5-dioxocane

C8H16O2 — CID 23522003

IUPAC2-ethyl-1,5-dioxocane
SMILESCCC1CCOCCCO1
InChIInChI=1S/C8H16O2/c1-2-8-4-7-9-5-3-6-10-8/h8H,2-7H2,1H3
InChIKeyVLDPMUFTHZNRMR-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds1

About 2-ethyl-1,5-dioxocane

2-ethyl-1,5-dioxocane (PubChem CID 23522003) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-ethyl-1,5-dioxocane.

Molecular Properties

Compound Name2-ethyl-1,5-dioxocane
PubChem CID23522003
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-ethyl-1,5-dioxocane
SMILESCCC1CCOCCCO1
InChIInChI=1S/C8H16O2/c1-2-8-4-7-9-5-3-6-10-8/h8H,2-7H2,1H3
InChIKeyVLDPMUFTHZNRMR-UHFFFAOYSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,5-dioxocane?
The IUPAC name of 2-ethyl-1,5-dioxocane (CID 23522003) is 2-ethyl-1,5-dioxocane.
What is the SMILES notation for 2-ethyl-1,5-dioxocane?
The canonical SMILES for 2-ethyl-1,5-dioxocane is CCC1CCOCCCO1.
What is the InChIKey of 2-ethyl-1,5-dioxocane?
The InChIKey is VLDPMUFTHZNRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-8-4-7-9-5-3-6-10-8/h8H,2-7H2,1H3.
What are the key properties of 2-ethyl-1,5-dioxocane?
2-ethyl-1,5-dioxocane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,5-dioxocane is sourced from PubChem (CID 23522003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).