2-[3-[2-(2-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane

C19H28O2 — CID 67980211

IUPAC2-[3-[2-(2-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
SMILESCCC1CCCCC1CCc1cccc(C2OCCO2)c1
InChIInChI=1S/C19H28O2/c1-2-16-7-3-4-8-17(16)11-10-15-6-5-9-18(14-15)19-20-12-13-21-19/h5-6,9,14,16-17,19H,2-4,7-8,10-13H2,1H3
InChIKeyNNIOLZKQYNHZSM-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.88
Rot. Bonds5

About 2-[3-[2-(2-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane

2-[3-[2-(2-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane (PubChem CID 67980211) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-[3-[2-(2-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-[2-(2-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
PubChem CID67980211
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name2-[3-[2-(2-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
SMILESCCC1CCCCC1CCc1cccc(C2OCCO2)c1
InChIInChI=1S/C19H28O2/c1-2-16-7-3-4-8-17(16)11-10-15-6-5-9-18(14-15)19-20-12-13-21-19/h5-6,9,14,16-17,19H,2-4,7-8,10-13H2,1H3
InChIKeyNNIOLZKQYNHZSM-UHFFFAOYSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
The IUPAC name of 2-[3-[2-(2-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane (CID 67980211) is 2-[3-[2-(2-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[3-[2-(2-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[3-[2-(2-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane is CCC1CCCCC1CCc1cccc(C2OCCO2)c1.
What is the InChIKey of 2-[3-[2-(2-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
The InChIKey is NNIOLZKQYNHZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-2-16-7-3-4-8-17(16)11-10-15-6-5-9-18(14-15)19-20-12-13-21-19/h5-6,9,14,16-17,19H,2-4,7-8,10-13H2,1H3.
What are the key properties of 2-[3-[2-(2-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
2-[3-[2-(2-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane has a molecular weight of 288.43 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane is sourced from PubChem (CID 67980211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).