2-ethyl-2-(4-propan-2-ylsulfonylphenyl)-1,3-dioxolane

C14H20O4S — CID 83957516

IUPAC2-ethyl-2-(4-propan-2-ylsulfonylphenyl)-1,3-dioxolane
SMILESCCC1(c2ccc(S(=O)(=O)C(C)C)cc2)OCCO1
InChIInChI=1S/C14H20O4S/c1-4-14(17-9-10-18-14)12-5-7-13(8-6-12)19(15,16)11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyCALSQBSPCHVQFU-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.48
Rot. Bonds4

About 2-ethyl-2-(4-propan-2-ylsulfonylphenyl)-1,3-dioxolane

2-ethyl-2-(4-propan-2-ylsulfonylphenyl)-1,3-dioxolane (PubChem CID 83957516) has the molecular formula C14H20O4S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-ethyl-2-(4-propan-2-ylsulfonylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-2-(4-propan-2-ylsulfonylphenyl)-1,3-dioxolane
PubChem CID83957516
Molecular FormulaC14H20O4S
Molecular Weight284.38 g/mol
Exact Mass284.11
IUPAC Name2-ethyl-2-(4-propan-2-ylsulfonylphenyl)-1,3-dioxolane
SMILESCCC1(c2ccc(S(=O)(=O)C(C)C)cc2)OCCO1
InChIInChI=1S/C14H20O4S/c1-4-14(17-9-10-18-14)12-5-7-13(8-6-12)19(15,16)11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyCALSQBSPCHVQFU-UHFFFAOYSA-N
XLogP2.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(4-propan-2-ylsulfonylphenyl)-1,3-dioxolane?
The IUPAC name of 2-ethyl-2-(4-propan-2-ylsulfonylphenyl)-1,3-dioxolane (CID 83957516) is 2-ethyl-2-(4-propan-2-ylsulfonylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-2-(4-propan-2-ylsulfonylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-ethyl-2-(4-propan-2-ylsulfonylphenyl)-1,3-dioxolane is CCC1(c2ccc(S(=O)(=O)C(C)C)cc2)OCCO1.
What is the InChIKey of 2-ethyl-2-(4-propan-2-ylsulfonylphenyl)-1,3-dioxolane?
The InChIKey is CALSQBSPCHVQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4S/c1-4-14(17-9-10-18-14)12-5-7-13(8-6-12)19(15,16)11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 2-ethyl-2-(4-propan-2-ylsulfonylphenyl)-1,3-dioxolane?
2-ethyl-2-(4-propan-2-ylsulfonylphenyl)-1,3-dioxolane has a molecular weight of 284.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-propan-2-ylsulfonylphenyl)-1,3-dioxolane is sourced from PubChem (CID 83957516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).