2-methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane

C15H26O2 — CID 2278540

IUPAC2-methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane
SMILESCC1=C(CCC2(C)OCCO2)C(C)(C)CCC1
InChIInChI=1S/C15H26O2/c1-12-6-5-8-14(2,3)13(12)7-9-15(4)16-10-11-17-15/h5-11H2,1-4H3
InChIKeyOAXKSBQZYLZGBI-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.06
Rot. Bonds3

About 2-methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane

2-methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane (PubChem CID 2278540) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane
PubChem CID2278540
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane
SMILESCC1=C(CCC2(C)OCCO2)C(C)(C)CCC1
InChIInChI=1S/C15H26O2/c1-12-6-5-8-14(2,3)13(12)7-9-15(4)16-10-11-17-15/h5-11H2,1-4H3
InChIKeyOAXKSBQZYLZGBI-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.06
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-methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane (CID 2278540) is 2-methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane is CC1=C(CCC2(C)OCCO2)C(C)(C)CCC1.
What is the InChIKey of 2-methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane?
The InChIKey is OAXKSBQZYLZGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-12-6-5-8-14(2,3)13(12)7-9-15(4)16-10-11-17-15/h5-11H2,1-4H3.
What are the key properties of 2-methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane?
2-methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane has a molecular weight of 238.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 2278540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).