1-(6-ethyl-3-methylcyclohexa-2,4-dien-1-yl)ethanone

C11H16O — CID 146332066

IUPAC1-(6-ethyl-3-methylcyclohexa-2,4-dien-1-yl)ethanone
SMILESCCC1C=CC(C)=CC1C(C)=O
InChIInChI=1S/C11H16O/c1-4-10-6-5-8(2)7-11(10)9(3)12/h5-7,10-11H,4H2,1-3H3
InChIKeyRXKSMXIGRIQBMK-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.73
Rot. Bonds2

About 1-(6-ethyl-3-methylcyclohexa-2,4-dien-1-yl)ethanone

1-(6-ethyl-3-methylcyclohexa-2,4-dien-1-yl)ethanone (PubChem CID 146332066) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(6-ethyl-3-methylcyclohexa-2,4-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-ethyl-3-methylcyclohexa-2,4-dien-1-yl)ethanone
PubChem CID146332066
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-(6-ethyl-3-methylcyclohexa-2,4-dien-1-yl)ethanone
SMILESCCC1C=CC(C)=CC1C(C)=O
InChIInChI=1S/C11H16O/c1-4-10-6-5-8(2)7-11(10)9(3)12/h5-7,10-11H,4H2,1-3H3
InChIKeyRXKSMXIGRIQBMK-UHFFFAOYSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-3-methylcyclohexa-2,4-dien-1-yl)ethanone?
The IUPAC name of 1-(6-ethyl-3-methylcyclohexa-2,4-dien-1-yl)ethanone (CID 146332066) is 1-(6-ethyl-3-methylcyclohexa-2,4-dien-1-yl)ethanone.
What is the SMILES notation for 1-(6-ethyl-3-methylcyclohexa-2,4-dien-1-yl)ethanone?
The canonical SMILES for 1-(6-ethyl-3-methylcyclohexa-2,4-dien-1-yl)ethanone is CCC1C=CC(C)=CC1C(C)=O.
What is the InChIKey of 1-(6-ethyl-3-methylcyclohexa-2,4-dien-1-yl)ethanone?
The InChIKey is RXKSMXIGRIQBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-4-10-6-5-8(2)7-11(10)9(3)12/h5-7,10-11H,4H2,1-3H3.
What are the key properties of 1-(6-ethyl-3-methylcyclohexa-2,4-dien-1-yl)ethanone?
1-(6-ethyl-3-methylcyclohexa-2,4-dien-1-yl)ethanone has a molecular weight of 164.25 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-3-methylcyclohexa-2,4-dien-1-yl)ethanone is sourced from PubChem (CID 146332066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).