6-methyl-6-prop-2-enylcyclohex-2-en-1-one

C10H14O — CID 13024680

IUPAC6-methyl-6-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCC1(C)CCC=CC1=O
InChIInChI=1S/C10H14O/c1-3-7-10(2)8-5-4-6-9(10)11/h3-4,6H,1,5,7-8H2,2H3
InChIKeyMKQCSWXZTDWVMQ-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.49
Rot. Bonds2

About 6-methyl-6-prop-2-enylcyclohex-2-en-1-one

6-methyl-6-prop-2-enylcyclohex-2-en-1-one (PubChem CID 13024680) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 6-methyl-6-prop-2-enylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-methyl-6-prop-2-enylcyclohex-2-en-1-one
PubChem CID13024680
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name6-methyl-6-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCC1(C)CCC=CC1=O
InChIInChI=1S/C10H14O/c1-3-7-10(2)8-5-4-6-9(10)11/h3-4,6H,1,5,7-8H2,2H3
InChIKeyMKQCSWXZTDWVMQ-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-prop-2-enylcyclohex-2-en-1-one?
The IUPAC name of 6-methyl-6-prop-2-enylcyclohex-2-en-1-one (CID 13024680) is 6-methyl-6-prop-2-enylcyclohex-2-en-1-one.
What is the SMILES notation for 6-methyl-6-prop-2-enylcyclohex-2-en-1-one?
The canonical SMILES for 6-methyl-6-prop-2-enylcyclohex-2-en-1-one is C=CCC1(C)CCC=CC1=O.
What is the InChIKey of 6-methyl-6-prop-2-enylcyclohex-2-en-1-one?
The InChIKey is MKQCSWXZTDWVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-7-10(2)8-5-4-6-9(10)11/h3-4,6H,1,5,7-8H2,2H3.
What are the key properties of 6-methyl-6-prop-2-enylcyclohex-2-en-1-one?
6-methyl-6-prop-2-enylcyclohex-2-en-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-prop-2-enylcyclohex-2-en-1-one is sourced from PubChem (CID 13024680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).