2-[2-(3-tert-butylcyclohexyl)ethyl]-1,3-dioxolane

C15H28O2 — CID 57429409

IUPAC2-[2-(3-tert-butylcyclohexyl)ethyl]-1,3-dioxolane
SMILESCC(C)(C)C1CCCC(CCC2OCCO2)C1
InChIInChI=1S/C15H28O2/c1-15(2,3)13-6-4-5-12(11-13)7-8-14-16-9-10-17-14/h12-14H,4-11H2,1-3H3
InChIKeyARSQZAOWGIARAE-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.99
Rot. Bonds3

About 2-[2-(3-tert-butylcyclohexyl)ethyl]-1,3-dioxolane

2-[2-(3-tert-butylcyclohexyl)ethyl]-1,3-dioxolane (PubChem CID 57429409) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[2-(3-tert-butylcyclohexyl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(3-tert-butylcyclohexyl)ethyl]-1,3-dioxolane
PubChem CID57429409
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-[2-(3-tert-butylcyclohexyl)ethyl]-1,3-dioxolane
SMILESCC(C)(C)C1CCCC(CCC2OCCO2)C1
InChIInChI=1S/C15H28O2/c1-15(2,3)13-6-4-5-12(11-13)7-8-14-16-9-10-17-14/h12-14H,4-11H2,1-3H3
InChIKeyARSQZAOWGIARAE-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-tert-butylcyclohexyl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(3-tert-butylcyclohexyl)ethyl]-1,3-dioxolane (CID 57429409) is 2-[2-(3-tert-butylcyclohexyl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(3-tert-butylcyclohexyl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(3-tert-butylcyclohexyl)ethyl]-1,3-dioxolane is CC(C)(C)C1CCCC(CCC2OCCO2)C1.
What is the InChIKey of 2-[2-(3-tert-butylcyclohexyl)ethyl]-1,3-dioxolane?
The InChIKey is ARSQZAOWGIARAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-15(2,3)13-6-4-5-12(11-13)7-8-14-16-9-10-17-14/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-[2-(3-tert-butylcyclohexyl)ethyl]-1,3-dioxolane?
2-[2-(3-tert-butylcyclohexyl)ethyl]-1,3-dioxolane has a molecular weight of 240.39 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-tert-butylcyclohexyl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 57429409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).