2-[(E)-2-(4,4-dimethylcyclohexen-1-yl)ethenyl]-1,3-dioxole

C13H18O2 — CID 171483613

IUPAC2-[(E)-2-(4,4-dimethylcyclohexen-1-yl)ethenyl]-1,3-dioxole
SMILESCC1(C)CC=C(/C=C/C2OC=CO2)CC1
InChIInChI=1S/C13H18O2/c1-13(2)7-5-11(6-8-13)3-4-12-14-9-10-15-12/h3-5,9-10,12H,6-8H2,1-2H3/b4-3+
InChIKeyCPKKZTOYSFYOQV-ONEGZZNKSA-N
MW206.29 g/mol
LogP3.52
Rot. Bonds2

About 2-[(E)-2-(4,4-dimethylcyclohexen-1-yl)ethenyl]-1,3-dioxole

2-[(E)-2-(4,4-dimethylcyclohexen-1-yl)ethenyl]-1,3-dioxole (PubChem CID 171483613) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(E)-2-(4,4-dimethylcyclohexen-1-yl)ethenyl]-1,3-dioxole.

Molecular Properties

Compound Name2-[(E)-2-(4,4-dimethylcyclohexen-1-yl)ethenyl]-1,3-dioxole
PubChem CID171483613
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-[(E)-2-(4,4-dimethylcyclohexen-1-yl)ethenyl]-1,3-dioxole
SMILESCC1(C)CC=C(/C=C/C2OC=CO2)CC1
InChIInChI=1S/C13H18O2/c1-13(2)7-5-11(6-8-13)3-4-12-14-9-10-15-12/h3-5,9-10,12H,6-8H2,1-2H3/b4-3+
InChIKeyCPKKZTOYSFYOQV-ONEGZZNKSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4,4-dimethylcyclohexen-1-yl)ethenyl]-1,3-dioxole?
The IUPAC name of 2-[(E)-2-(4,4-dimethylcyclohexen-1-yl)ethenyl]-1,3-dioxole (CID 171483613) is 2-[(E)-2-(4,4-dimethylcyclohexen-1-yl)ethenyl]-1,3-dioxole.
What is the SMILES notation for 2-[(E)-2-(4,4-dimethylcyclohexen-1-yl)ethenyl]-1,3-dioxole?
The canonical SMILES for 2-[(E)-2-(4,4-dimethylcyclohexen-1-yl)ethenyl]-1,3-dioxole is CC1(C)CC=C(/C=C/C2OC=CO2)CC1.
What is the InChIKey of 2-[(E)-2-(4,4-dimethylcyclohexen-1-yl)ethenyl]-1,3-dioxole?
The InChIKey is CPKKZTOYSFYOQV-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2)7-5-11(6-8-13)3-4-12-14-9-10-15-12/h3-5,9-10,12H,6-8H2,1-2H3/b4-3+.
What are the key properties of 2-[(E)-2-(4,4-dimethylcyclohexen-1-yl)ethenyl]-1,3-dioxole?
2-[(E)-2-(4,4-dimethylcyclohexen-1-yl)ethenyl]-1,3-dioxole has a molecular weight of 206.29 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4,4-dimethylcyclohexen-1-yl)ethenyl]-1,3-dioxole is sourced from PubChem (CID 171483613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).