4,5,5-triethyl-2,3,4-trimethylcyclohex-2-en-1-one

C15H26O — CID 71439866

IUPAC4,5,5-triethyl-2,3,4-trimethylcyclohex-2-en-1-one
SMILESCCC1(CC)CC(=O)C(C)=C(C)C1(C)CC
InChIInChI=1S/C15H26O/c1-7-14(6)12(5)11(4)13(16)10-15(14,8-2)9-3/h7-10H2,1-6H3
InChIKeyJAXDNXNTJWNZKE-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.52
Rot. Bonds3

About 4,5,5-triethyl-2,3,4-trimethylcyclohex-2-en-1-one

4,5,5-triethyl-2,3,4-trimethylcyclohex-2-en-1-one (PubChem CID 71439866) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 4,5,5-triethyl-2,3,4-trimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4,5,5-triethyl-2,3,4-trimethylcyclohex-2-en-1-one
PubChem CID71439866
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name4,5,5-triethyl-2,3,4-trimethylcyclohex-2-en-1-one
SMILESCCC1(CC)CC(=O)C(C)=C(C)C1(C)CC
InChIInChI=1S/C15H26O/c1-7-14(6)12(5)11(4)13(16)10-15(14,8-2)9-3/h7-10H2,1-6H3
InChIKeyJAXDNXNTJWNZKE-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,5-triethyl-2,3,4-trimethylcyclohex-2-en-1-one?
The IUPAC name of 4,5,5-triethyl-2,3,4-trimethylcyclohex-2-en-1-one (CID 71439866) is 4,5,5-triethyl-2,3,4-trimethylcyclohex-2-en-1-one.
What is the SMILES notation for 4,5,5-triethyl-2,3,4-trimethylcyclohex-2-en-1-one?
The canonical SMILES for 4,5,5-triethyl-2,3,4-trimethylcyclohex-2-en-1-one is CCC1(CC)CC(=O)C(C)=C(C)C1(C)CC.
What is the InChIKey of 4,5,5-triethyl-2,3,4-trimethylcyclohex-2-en-1-one?
The InChIKey is JAXDNXNTJWNZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-7-14(6)12(5)11(4)13(16)10-15(14,8-2)9-3/h7-10H2,1-6H3.
What are the key properties of 4,5,5-triethyl-2,3,4-trimethylcyclohex-2-en-1-one?
4,5,5-triethyl-2,3,4-trimethylcyclohex-2-en-1-one has a molecular weight of 222.37 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-triethyl-2,3,4-trimethylcyclohex-2-en-1-one is sourced from PubChem (CID 71439866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).