2-[4-[2-(4-Ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane

C19H28O2 — CID 67980435

IUPAC2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
SMILESCCC1CCC(CC1)CCC2=CC=C(C=C2)C3OCCO3
InChIInChI=1S/C19H28O2/c1-2-15-3-5-16(6-4-15)7-8-17-9-11-18(12-10-17)19-20-13-14-21-19/h9-12,15-16,19H,2-8,13-14H2,1H3
InChIKeyQMYDWJBPFVHIKN-UHFFFAOYSA-N
MW288.40 g/mol
LogP5.70
Rot. Bonds5

About 2-[4-[2-(4-Ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane

2-[4-[2-(4-Ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane (PubChem CID 67980435) has the molecular formula C19H28O2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[4-[2-(4-Ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
PubChem CID67980435
Molecular FormulaC19H28O2
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
SMILESCCC1CCC(CC1)CCC2=CC=C(C=C2)C3OCCO3
InChIInChI=1S/C19H28O2/c1-2-15-3-5-16(6-4-15)7-8-17-9-11-18(12-10-17)19-20-13-14-21-19/h9-12,15-16,19H,2-8,13-14H2,1H3
InChIKeyQMYDWJBPFVHIKN-UHFFFAOYSA-N
XLogP5.70
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity282

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.40
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-Ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
The IUPAC name of 2-[4-[2-(4-Ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane (CID 67980435) is 2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[4-[2-(4-Ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[4-[2-(4-Ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane is CCC1CCC(CC1)CCC2=CC=C(C=C2)C3OCCO3.
What is the InChIKey of 2-[4-[2-(4-Ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
The InChIKey is QMYDWJBPFVHIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-2-15-3-5-16(6-4-15)7-8-17-9-11-18(12-10-17)19-20-13-14-21-19/h9-12,15-16,19H,2-8,13-14H2,1H3.
What are the key properties of 2-[4-[2-(4-Ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
2-[4-[2-(4-Ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane has a molecular weight of 288.40 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-Ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane is sourced from PubChem (CID 67980435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).