2-(4-butylphenyl)-1,3-dioxolane

C13H18O2 — CID 71446583

IUPAC2-(4-butylphenyl)-1,3-dioxolane
SMILESCCCCc1ccc(C2OCCO2)cc1
InChIInChI=1S/C13H18O2/c1-2-3-4-11-5-7-12(8-6-11)13-14-9-10-15-13/h5-8,13H,2-4,9-10H2,1H3
InChIKeyMXLCHDPSCBXDKQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.07
Rot. Bonds4

About 2-(4-butylphenyl)-1,3-dioxolane

2-(4-butylphenyl)-1,3-dioxolane (PubChem CID 71446583) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(4-butylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-butylphenyl)-1,3-dioxolane
PubChem CID71446583
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-(4-butylphenyl)-1,3-dioxolane
SMILESCCCCc1ccc(C2OCCO2)cc1
InChIInChI=1S/C13H18O2/c1-2-3-4-11-5-7-12(8-6-11)13-14-9-10-15-13/h5-8,13H,2-4,9-10H2,1H3
InChIKeyMXLCHDPSCBXDKQ-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(4-butylphenyl)-1,3-dioxolane (CID 71446583) is 2-(4-butylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(4-butylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(4-butylphenyl)-1,3-dioxolane is CCCCc1ccc(C2OCCO2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-1,3-dioxolane?
The InChIKey is MXLCHDPSCBXDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-3-4-11-5-7-12(8-6-11)13-14-9-10-15-13/h5-8,13H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-butylphenyl)-1,3-dioxolane?
2-(4-butylphenyl)-1,3-dioxolane has a molecular weight of 206.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-1,3-dioxolane is sourced from PubChem (CID 71446583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).