3-methoxy-2,6,6-trimethylcyclohex-2-en-1-one

C10H16O2 — CID 10855890

IUPAC3-methoxy-2,6,6-trimethylcyclohex-2-en-1-one
SMILESCOC1=C(C)C(=O)C(C)(C)CC1
InChIInChI=1S/C10H16O2/c1-7-8(12-4)5-6-10(2,3)9(7)11/h5-6H2,1-4H3
InChIKeyPZLWKWMMAVNBTM-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds1

About 3-methoxy-2,6,6-trimethylcyclohex-2-en-1-one

3-methoxy-2,6,6-trimethylcyclohex-2-en-1-one (PubChem CID 10855890) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-methoxy-2,6,6-trimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-2,6,6-trimethylcyclohex-2-en-1-one
PubChem CID10855890
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-methoxy-2,6,6-trimethylcyclohex-2-en-1-one
SMILESCOC1=C(C)C(=O)C(C)(C)CC1
InChIInChI=1S/C10H16O2/c1-7-8(12-4)5-6-10(2,3)9(7)11/h5-6H2,1-4H3
InChIKeyPZLWKWMMAVNBTM-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 3-methoxy-2,6,6-trimethylcyclohex-2-en-1-one?
The IUPAC name of 3-methoxy-2,6,6-trimethylcyclohex-2-en-1-one (CID 10855890) is 3-methoxy-2,6,6-trimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-methoxy-2,6,6-trimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-methoxy-2,6,6-trimethylcyclohex-2-en-1-one is COC1=C(C)C(=O)C(C)(C)CC1.
What is the InChIKey of 3-methoxy-2,6,6-trimethylcyclohex-2-en-1-one?
The InChIKey is PZLWKWMMAVNBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-8(12-4)5-6-10(2,3)9(7)11/h5-6H2,1-4H3.
What are the key properties of 3-methoxy-2,6,6-trimethylcyclohex-2-en-1-one?
3-methoxy-2,6,6-trimethylcyclohex-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,6,6-trimethylcyclohex-2-en-1-one is sourced from PubChem (CID 10855890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).