2,4-dimethyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)-1,3-dioxolane

C14H24O2 — CID 11970884

IUPAC2,4-dimethyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)-1,3-dioxolane
SMILESCC1=CC(C2(C)OCC(C)O2)CC(C)(C)C1
InChIInChI=1S/C14H24O2/c1-10-6-12(8-13(3,4)7-10)14(5)15-9-11(2)16-14/h6,11-12H,7-9H2,1-5H3
InChIKeyXODOBODQNVUHDA-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.52
Rot. Bonds1

About 2,4-dimethyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)-1,3-dioxolane

2,4-dimethyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)-1,3-dioxolane (PubChem CID 11970884) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2,4-dimethyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2,4-dimethyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)-1,3-dioxolane
PubChem CID11970884
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2,4-dimethyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)-1,3-dioxolane
SMILESCC1=CC(C2(C)OCC(C)O2)CC(C)(C)C1
InChIInChI=1S/C14H24O2/c1-10-6-12(8-13(3,4)7-10)14(5)15-9-11(2)16-14/h6,11-12H,7-9H2,1-5H3
InChIKeyXODOBODQNVUHDA-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.52
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 2,4-dimethyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)-1,3-dioxolane?
The IUPAC name of 2,4-dimethyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)-1,3-dioxolane (CID 11970884) is 2,4-dimethyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)-1,3-dioxolane.
What is the SMILES notation for 2,4-dimethyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)-1,3-dioxolane?
The canonical SMILES for 2,4-dimethyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)-1,3-dioxolane is CC1=CC(C2(C)OCC(C)O2)CC(C)(C)C1.
What is the InChIKey of 2,4-dimethyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)-1,3-dioxolane?
The InChIKey is XODOBODQNVUHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10-6-12(8-13(3,4)7-10)14(5)15-9-11(2)16-14/h6,11-12H,7-9H2,1-5H3.
What are the key properties of 2,4-dimethyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)-1,3-dioxolane?
2,4-dimethyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)-1,3-dioxolane has a molecular weight of 224.34 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)-1,3-dioxolane is sourced from PubChem (CID 11970884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).