2-ethoxy-5,5-dimethylcyclohex-2-en-1-one

C10H16O2 — CID 20507110

IUPAC2-ethoxy-5,5-dimethylcyclohex-2-en-1-one
SMILESCCOC1=CCC(C)(C)CC1=O
InChIInChI=1S/C10H16O2/c1-4-12-9-5-6-10(2,3)7-8(9)11/h5H,4,6-7H2,1-3H3
InChIKeyPZVAVZZWSQKRCX-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds2

About 2-ethoxy-5,5-dimethylcyclohex-2-en-1-one

2-ethoxy-5,5-dimethylcyclohex-2-en-1-one (PubChem CID 20507110) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-ethoxy-5,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-ethoxy-5,5-dimethylcyclohex-2-en-1-one
PubChem CID20507110
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-ethoxy-5,5-dimethylcyclohex-2-en-1-one
SMILESCCOC1=CCC(C)(C)CC1=O
InChIInChI=1S/C10H16O2/c1-4-12-9-5-6-10(2,3)7-8(9)11/h5H,4,6-7H2,1-3H3
InChIKeyPZVAVZZWSQKRCX-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 2-ethoxy-5,5-dimethylcyclohex-2-en-1-one (CID 20507110) is 2-ethoxy-5,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 2-ethoxy-5,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 2-ethoxy-5,5-dimethylcyclohex-2-en-1-one is CCOC1=CCC(C)(C)CC1=O.
What is the InChIKey of 2-ethoxy-5,5-dimethylcyclohex-2-en-1-one?
The InChIKey is PZVAVZZWSQKRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-12-9-5-6-10(2,3)7-8(9)11/h5H,4,6-7H2,1-3H3.
What are the key properties of 2-ethoxy-5,5-dimethylcyclohex-2-en-1-one?
2-ethoxy-5,5-dimethylcyclohex-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 20507110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).