2-ethyl-2-methylcyclooctane-1,5-dione

C11H18O2 — CID 141347991

IUPAC2-ethyl-2-methylcyclooctane-1,5-dione
SMILESCCC1(C)CCC(=O)CCCC1=O
InChIInChI=1S/C11H18O2/c1-3-11(2)8-7-9(12)5-4-6-10(11)13/h3-8H2,1-2H3
InChIKeyVMJBCZANLPNIAN-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.51
Rot. Bonds1

About 2-ethyl-2-methylcyclooctane-1,5-dione

2-ethyl-2-methylcyclooctane-1,5-dione (PubChem CID 141347991) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-ethyl-2-methylcyclooctane-1,5-dione.

Molecular Properties

Compound Name2-ethyl-2-methylcyclooctane-1,5-dione
PubChem CID141347991
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-ethyl-2-methylcyclooctane-1,5-dione
SMILESCCC1(C)CCC(=O)CCCC1=O
InChIInChI=1S/C11H18O2/c1-3-11(2)8-7-9(12)5-4-6-10(11)13/h3-8H2,1-2H3
InChIKeyVMJBCZANLPNIAN-UHFFFAOYSA-N
XLogP2.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(6Z)-11-acetyl-2-ethyl-2,11-dimethylcyclotridec-6-en-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methylcyclooctane-1,5-dione?
The IUPAC name of 2-ethyl-2-methylcyclooctane-1,5-dione (CID 141347991) is 2-ethyl-2-methylcyclooctane-1,5-dione.
What is the SMILES notation for 2-ethyl-2-methylcyclooctane-1,5-dione?
The canonical SMILES for 2-ethyl-2-methylcyclooctane-1,5-dione is CCC1(C)CCC(=O)CCCC1=O.
What is the InChIKey of 2-ethyl-2-methylcyclooctane-1,5-dione?
The InChIKey is VMJBCZANLPNIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-11(2)8-7-9(12)5-4-6-10(11)13/h3-8H2,1-2H3.
What are the key properties of 2-ethyl-2-methylcyclooctane-1,5-dione?
2-ethyl-2-methylcyclooctane-1,5-dione has a molecular weight of 182.26 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methylcyclooctane-1,5-dione is sourced from PubChem (CID 141347991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).