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

C15H24O2 — CID 5376311

IUPAC2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,3-dioxolane
SMILESCC1=C(/C=C/C2(C)OCCO2)C(C)(C)CCC1
InChIInChI=1S/C15H24O2/c1-12-6-5-8-14(2,3)13(12)7-9-15(4)16-10-11-17-15/h7,9H,5-6,8,10-11H2,1-4H3/b9-7+
InChIKeyDTBQZKSNLYLNEY-VQHVLOKHSA-N
MW236.35 g/mol
LogP3.83
Rot. Bonds2

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

2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,3-dioxolane (PubChem CID 5376311) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,3-dioxolane
PubChem CID5376311
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,3-dioxolane
SMILESCC1=C(/C=C/C2(C)OCCO2)C(C)(C)CCC1
InChIInChI=1S/C15H24O2/c1-12-6-5-8-14(2,3)13(12)7-9-15(4)16-10-11-17-15/h7,9H,5-6,8,10-11H2,1-4H3/b9-7+
InChIKeyDTBQZKSNLYLNEY-VQHVLOKHSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,3-dioxolane (CID 5376311) is 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,3-dioxolane is CC1=C(/C=C/C2(C)OCCO2)C(C)(C)CCC1.
What is the InChIKey of 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,3-dioxolane?
The InChIKey is DTBQZKSNLYLNEY-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H24O2/c1-12-6-5-8-14(2,3)13(12)7-9-15(4)16-10-11-17-15/h7,9H,5-6,8,10-11H2,1-4H3/b9-7+.
What are the key properties of 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,3-dioxolane?
2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,3-dioxolane has a molecular weight of 236.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,3-dioxolane is sourced from PubChem (CID 5376311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).