4,5-dimethyl-6-methylidene-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran

C17H26O — CID 59164860

IUPAC4,5-dimethyl-6-methylidene-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran
SMILESC=C1OC(C2=C(C)CCCC2(C)C)CC(C)=C1C
InChIInChI=1S/C17H26O/c1-11-8-7-9-17(5,6)16(11)15-10-12(2)13(3)14(4)18-15/h15H,4,7-10H2,1-3,5-6H3
InChIKeyKZOYAILFVFREEP-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.15
Rot. Bonds1

About 4,5-dimethyl-6-methylidene-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran

4,5-dimethyl-6-methylidene-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran (PubChem CID 59164860) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 4,5-dimethyl-6-methylidene-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran.

Molecular Properties

Compound Name4,5-dimethyl-6-methylidene-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran
PubChem CID59164860
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name4,5-dimethyl-6-methylidene-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran
SMILESC=C1OC(C2=C(C)CCCC2(C)C)CC(C)=C1C
InChIInChI=1S/C17H26O/c1-11-8-7-9-17(5,6)16(11)15-10-12(2)13(3)14(4)18-15/h15H,4,7-10H2,1-3,5-6H3
InChIKeyKZOYAILFVFREEP-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.15
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 4,5-dimethyl-6-methylidene-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran?
The IUPAC name of 4,5-dimethyl-6-methylidene-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran (CID 59164860) is 4,5-dimethyl-6-methylidene-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran.
What is the SMILES notation for 4,5-dimethyl-6-methylidene-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran?
The canonical SMILES for 4,5-dimethyl-6-methylidene-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran is C=C1OC(C2=C(C)CCCC2(C)C)CC(C)=C1C.
What is the InChIKey of 4,5-dimethyl-6-methylidene-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran?
The InChIKey is KZOYAILFVFREEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-11-8-7-9-17(5,6)16(11)15-10-12(2)13(3)14(4)18-15/h15H,4,7-10H2,1-3,5-6H3.
What are the key properties of 4,5-dimethyl-6-methylidene-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran?
4,5-dimethyl-6-methylidene-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran has a molecular weight of 246.39 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-methylidene-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran is sourced from PubChem (CID 59164860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).