4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran-6-one

C15H22O2 — CID 10944386

IUPAC4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran-6-one
SMILESCC1=CC(=O)OC(C2=C(C)CCCC2(C)C)C1
InChIInChI=1S/C15H22O2/c1-10-8-12(17-13(16)9-10)14-11(2)6-5-7-15(14,3)4/h9,12H,5-8H2,1-4H3
InChIKeyCRRNWIDSIFBFBB-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.77
Rot. Bonds1

About 4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran-6-one

4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran-6-one (PubChem CID 10944386) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran-6-one
PubChem CID10944386
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran-6-one
SMILESCC1=CC(=O)OC(C2=C(C)CCCC2(C)C)C1
InChIInChI=1S/C15H22O2/c1-10-8-12(17-13(16)9-10)14-11(2)6-5-7-15(14,3)4/h9,12H,5-8H2,1-4H3
InChIKeyCRRNWIDSIFBFBB-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran-6-one?
The IUPAC name of 4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran-6-one (CID 10944386) is 4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran-6-one?
The canonical SMILES for 4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran-6-one is CC1=CC(=O)OC(C2=C(C)CCCC2(C)C)C1.
What is the InChIKey of 4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran-6-one?
The InChIKey is CRRNWIDSIFBFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-8-12(17-13(16)9-10)14-11(2)6-5-7-15(14,3)4/h9,12H,5-8H2,1-4H3.
What are the key properties of 4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran-6-one?
4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran-6-one has a molecular weight of 234.34 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 10944386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).