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

C20H30O2 — CID 67980277

IUPAC2-[3-[2-(2-propylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
SMILESCCCC1CCCCC1CCc1cccc(C2OCCO2)c1
InChIInChI=1S/C20H30O2/c1-2-6-17-8-3-4-9-18(17)12-11-16-7-5-10-19(15-16)20-21-13-14-22-20/h5,7,10,15,17-18,20H,2-4,6,8-9,11-14H2,1H3
InChIKeySJQOKALIWQRNHA-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.27
Rot. Bonds6

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

2-[3-[2-(2-propylcyclohexyl)ethyl]phenyl]-1,3-dioxolane (PubChem CID 67980277) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-[3-[2-(2-propylcyclohexyl)ethyl]phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-[2-(2-propylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
PubChem CID67980277
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name2-[3-[2-(2-propylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
SMILESCCCC1CCCCC1CCc1cccc(C2OCCO2)c1
InChIInChI=1S/C20H30O2/c1-2-6-17-8-3-4-9-18(17)12-11-16-7-5-10-19(15-16)20-21-13-14-22-20/h5,7,10,15,17-18,20H,2-4,6,8-9,11-14H2,1H3
InChIKeySJQOKALIWQRNHA-UHFFFAOYSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.27
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-propylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
The IUPAC name of 2-[3-[2-(2-propylcyclohexyl)ethyl]phenyl]-1,3-dioxolane (CID 67980277) is 2-[3-[2-(2-propylcyclohexyl)ethyl]phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[3-[2-(2-propylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[3-[2-(2-propylcyclohexyl)ethyl]phenyl]-1,3-dioxolane is CCCC1CCCCC1CCc1cccc(C2OCCO2)c1.
What is the InChIKey of 2-[3-[2-(2-propylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
The InChIKey is SJQOKALIWQRNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-2-6-17-8-3-4-9-18(17)12-11-16-7-5-10-19(15-16)20-21-13-14-22-20/h5,7,10,15,17-18,20H,2-4,6,8-9,11-14H2,1H3.
What are the key properties of 2-[3-[2-(2-propylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
2-[3-[2-(2-propylcyclohexyl)ethyl]phenyl]-1,3-dioxolane has a molecular weight of 302.46 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-propylcyclohexyl)ethyl]phenyl]-1,3-dioxolane is sourced from PubChem (CID 67980277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).