4-ethenyl-2-(4-methylcyclohexyl)-1,3-dioxolane

C12H20O2 — CID 19009126

IUPAC4-ethenyl-2-(4-methylcyclohexyl)-1,3-dioxolane
SMILESC=CC1COC(C2CCC(C)CC2)O1
InChIInChI=1S/C12H20O2/c1-3-11-8-13-12(14-11)10-6-4-9(2)5-7-10/h3,9-12H,1,4-8H2,2H3
InChIKeyOGIUWYHJZMWAAH-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.74
Rot. Bonds2

About 4-ethenyl-2-(4-methylcyclohexyl)-1,3-dioxolane

4-ethenyl-2-(4-methylcyclohexyl)-1,3-dioxolane (PubChem CID 19009126) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-ethenyl-2-(4-methylcyclohexyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-ethenyl-2-(4-methylcyclohexyl)-1,3-dioxolane
PubChem CID19009126
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4-ethenyl-2-(4-methylcyclohexyl)-1,3-dioxolane
SMILESC=CC1COC(C2CCC(C)CC2)O1
InChIInChI=1S/C12H20O2/c1-3-11-8-13-12(14-11)10-6-4-9(2)5-7-10/h3,9-12H,1,4-8H2,2H3
InChIKeyOGIUWYHJZMWAAH-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.74
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-ethenyl-2-(4-methylcyclohexyl)-1,3-dioxolane?
The IUPAC name of 4-ethenyl-2-(4-methylcyclohexyl)-1,3-dioxolane (CID 19009126) is 4-ethenyl-2-(4-methylcyclohexyl)-1,3-dioxolane.
What is the SMILES notation for 4-ethenyl-2-(4-methylcyclohexyl)-1,3-dioxolane?
The canonical SMILES for 4-ethenyl-2-(4-methylcyclohexyl)-1,3-dioxolane is C=CC1COC(C2CCC(C)CC2)O1.
What is the InChIKey of 4-ethenyl-2-(4-methylcyclohexyl)-1,3-dioxolane?
The InChIKey is OGIUWYHJZMWAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-11-8-13-12(14-11)10-6-4-9(2)5-7-10/h3,9-12H,1,4-8H2,2H3.
What are the key properties of 4-ethenyl-2-(4-methylcyclohexyl)-1,3-dioxolane?
4-ethenyl-2-(4-methylcyclohexyl)-1,3-dioxolane has a molecular weight of 196.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-(4-methylcyclohexyl)-1,3-dioxolane is sourced from PubChem (CID 19009126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).