4,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane

C14H24O2 — CID 3115170

IUPAC4,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
SMILESCC1=CC(C)C(C2OC(C)C(C)O2)C(C)C1
InChIInChI=1S/C14H24O2/c1-8-6-9(2)13(10(3)7-8)14-15-11(4)12(5)16-14/h6,9-14H,7H2,1-5H3
InChIKeyNKCJZKYJHTULGS-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.37
Rot. Bonds1

About 4,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane

4,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane (PubChem CID 3115170) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
PubChem CID3115170
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
SMILESCC1=CC(C)C(C2OC(C)C(C)O2)C(C)C1
InChIInChI=1S/C14H24O2/c1-8-6-9(2)13(10(3)7-8)14-15-11(4)12(5)16-14/h6,9-14H,7H2,1-5H3
InChIKeyNKCJZKYJHTULGS-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
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 4,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane?
The IUPAC name of 4,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane (CID 3115170) is 4,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane.
What is the SMILES notation for 4,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane?
The canonical SMILES for 4,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane is CC1=CC(C)C(C2OC(C)C(C)O2)C(C)C1.
What is the InChIKey of 4,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane?
The InChIKey is NKCJZKYJHTULGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-8-6-9(2)13(10(3)7-8)14-15-11(4)12(5)16-14/h6,9-14H,7H2,1-5H3.
What are the key properties of 4,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane?
4,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane has a molecular weight of 224.34 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane is sourced from PubChem (CID 3115170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).