2-methyl-6-propylcyclohex-2-en-1-one

C10H16O — CID 21186823

IUPAC2-methyl-6-propylcyclohex-2-en-1-one
SMILESCCCC1CCC=C(C)C1=O
InChIInChI=1S/C10H16O/c1-3-5-9-7-4-6-8(2)10(9)11/h6,9H,3-5,7H2,1-2H3
InChIKeyAJWLJCSTSIMOLA-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds2

About 2-methyl-6-propylcyclohex-2-en-1-one

2-methyl-6-propylcyclohex-2-en-1-one (PubChem CID 21186823) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-6-propylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-methyl-6-propylcyclohex-2-en-1-one
PubChem CID21186823
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-methyl-6-propylcyclohex-2-en-1-one
SMILESCCCC1CCC=C(C)C1=O
InChIInChI=1S/C10H16O/c1-3-5-9-7-4-6-8(2)10(9)11/h6,9H,3-5,7H2,1-2H3
InChIKeyAJWLJCSTSIMOLA-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propylcyclohex-2-en-1-one?
The IUPAC name of 2-methyl-6-propylcyclohex-2-en-1-one (CID 21186823) is 2-methyl-6-propylcyclohex-2-en-1-one.
What is the SMILES notation for 2-methyl-6-propylcyclohex-2-en-1-one?
The canonical SMILES for 2-methyl-6-propylcyclohex-2-en-1-one is CCCC1CCC=C(C)C1=O.
What is the InChIKey of 2-methyl-6-propylcyclohex-2-en-1-one?
The InChIKey is AJWLJCSTSIMOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-5-9-7-4-6-8(2)10(9)11/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 2-methyl-6-propylcyclohex-2-en-1-one?
2-methyl-6-propylcyclohex-2-en-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propylcyclohex-2-en-1-one is sourced from PubChem (CID 21186823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).