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

C13H22O2 — CID 21263752

IUPAC4-methyl-2-(4,6,6-trimethylcyclohexen-1-yl)-1,3-dioxolane
SMILESCC1CC=C(C2OCC(C)O2)C(C)(C)C1
InChIInChI=1S/C13H22O2/c1-9-5-6-11(13(3,4)7-9)12-14-8-10(2)15-12/h6,9-10,12H,5,7-8H2,1-4H3
InChIKeyVDWUPYIEFKOBAJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.13
Rot. Bonds1

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

4-methyl-2-(4,6,6-trimethylcyclohexen-1-yl)-1,3-dioxolane (PubChem CID 21263752) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-methyl-2-(4,6,6-trimethylcyclohexen-1-yl)-1,3-dioxolane.

Molecular Properties

Compound Name4-methyl-2-(4,6,6-trimethylcyclohexen-1-yl)-1,3-dioxolane
PubChem CID21263752
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-methyl-2-(4,6,6-trimethylcyclohexen-1-yl)-1,3-dioxolane
SMILESCC1CC=C(C2OCC(C)O2)C(C)(C)C1
InChIInChI=1S/C13H22O2/c1-9-5-6-11(13(3,4)7-9)12-14-8-10(2)15-12/h6,9-10,12H,5,7-8H2,1-4H3
InChIKeyVDWUPYIEFKOBAJ-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.13
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-(4,6,6-trimethylcyclohexen-1-yl)-1,3-dioxolane?
The IUPAC name of 4-methyl-2-(4,6,6-trimethylcyclohexen-1-yl)-1,3-dioxolane (CID 21263752) is 4-methyl-2-(4,6,6-trimethylcyclohexen-1-yl)-1,3-dioxolane.
What is the SMILES notation for 4-methyl-2-(4,6,6-trimethylcyclohexen-1-yl)-1,3-dioxolane?
The canonical SMILES for 4-methyl-2-(4,6,6-trimethylcyclohexen-1-yl)-1,3-dioxolane is CC1CC=C(C2OCC(C)O2)C(C)(C)C1.
What is the InChIKey of 4-methyl-2-(4,6,6-trimethylcyclohexen-1-yl)-1,3-dioxolane?
The InChIKey is VDWUPYIEFKOBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9-5-6-11(13(3,4)7-9)12-14-8-10(2)15-12/h6,9-10,12H,5,7-8H2,1-4H3.
What are the key properties of 4-methyl-2-(4,6,6-trimethylcyclohexen-1-yl)-1,3-dioxolane?
4-methyl-2-(4,6,6-trimethylcyclohexen-1-yl)-1,3-dioxolane has a molecular weight of 210.32 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4,6,6-trimethylcyclohexen-1-yl)-1,3-dioxolane is sourced from PubChem (CID 21263752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).