3-cyclohexyl-5-prop-2-enyldioxolane

C12H20O2 — CID 155147325

IUPAC3-cyclohexyl-5-prop-2-enyldioxolane
SMILESC=CCC1CC(C2CCCCC2)OO1
InChIInChI=1S/C12H20O2/c1-2-6-11-9-12(14-13-11)10-7-4-3-5-8-10/h2,10-12H,1,3-9H2
InChIKeyHDOXZXVMJYFXHM-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.23
Rot. Bonds3

About 3-cyclohexyl-5-prop-2-enyldioxolane

3-cyclohexyl-5-prop-2-enyldioxolane (PubChem CID 155147325) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-cyclohexyl-5-prop-2-enyldioxolane.

Molecular Properties

Compound Name3-cyclohexyl-5-prop-2-enyldioxolane
PubChem CID155147325
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-cyclohexyl-5-prop-2-enyldioxolane
SMILESC=CCC1CC(C2CCCCC2)OO1
InChIInChI=1S/C12H20O2/c1-2-6-11-9-12(14-13-11)10-7-4-3-5-8-10/h2,10-12H,1,3-9H2
InChIKeyHDOXZXVMJYFXHM-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-prop-2-enyldioxolane?
The IUPAC name of 3-cyclohexyl-5-prop-2-enyldioxolane (CID 155147325) is 3-cyclohexyl-5-prop-2-enyldioxolane.
What is the SMILES notation for 3-cyclohexyl-5-prop-2-enyldioxolane?
The canonical SMILES for 3-cyclohexyl-5-prop-2-enyldioxolane is C=CCC1CC(C2CCCCC2)OO1.
What is the InChIKey of 3-cyclohexyl-5-prop-2-enyldioxolane?
The InChIKey is HDOXZXVMJYFXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-6-11-9-12(14-13-11)10-7-4-3-5-8-10/h2,10-12H,1,3-9H2.
What are the key properties of 3-cyclohexyl-5-prop-2-enyldioxolane?
3-cyclohexyl-5-prop-2-enyldioxolane has a molecular weight of 196.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-prop-2-enyldioxolane is sourced from PubChem (CID 155147325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).