4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane

C13H22O2 — CID 13440554

IUPAC4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(/C=C/C2CCCCC2)O1
InChIInChI=1S/C13H22O2/c1-13(2)14-10-12(15-13)9-8-11-6-4-3-5-7-11/h8-9,11-12H,3-7,10H2,1-2H3/b9-8+
InChIKeyVXQQJTUKQAYEQG-CMDGGOBGSA-N
MW210.32 g/mol
LogP3.27
Rot. Bonds2

About 4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane

4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 13440554) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID13440554
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(/C=C/C2CCCCC2)O1
InChIInChI=1S/C13H22O2/c1-13(2)14-10-12(15-13)9-8-11-6-4-3-5-7-11/h8-9,11-12H,3-7,10H2,1-2H3/b9-8+
InChIKeyVXQQJTUKQAYEQG-CMDGGOBGSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4-Dimethyl-7-ethyl-6,8-dioxabicyclo-[3.2.1]-3-octene
CID 13429331
2-Methyl-2-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane
CID 70371688
2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane
CID 58005039
(4S)-4-[(E)-dec-1-enyl]-2,2-dimethyl-1,3-dioxolane
CID 101188588
[(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane
CID 11253413
2-[(E)-2-cyclohexylethenyl]-1,3-dioxolane
CID 125476243
7,8-Dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 131852235
[(E)-4-cyclohexylbut-3-en-2-yl] ethyl carbonate
CID 166438205
2,4-Dimethyl-2-(1-methyl-2-(2,6,6-trimethyl-2-cyclohexen-1-yl)vinyl)-1,3-dioxolane
CID 11971372
2,4-Dimethyl-2-[1-methyl-2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethenyl]-1,3-dioxolane
CID 53422898
2,2-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,3-dioxolane
CID 154524154
(4S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2,2-dimethyl-1,3-dioxolane
CID 10752444

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane (CID 13440554) is 4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OCC(/C=C/C2CCCCC2)O1.
What is the InChIKey of 4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is VXQQJTUKQAYEQG-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H22O2/c1-13(2)14-10-12(15-13)9-8-11-6-4-3-5-7-11/h8-9,11-12H,3-7,10H2,1-2H3/b9-8+.
What are the key properties of 4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane?
4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 210.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 13440554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).