5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid

C14H20O5S — CID 175163328

IUPAC5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid
SMILESCC(C)(CCC(=O)O)COCC1COc2cscc2O1
InChIInChI=1S/C14H20O5S/c1-14(2,4-3-13(15)16)9-17-5-10-6-18-11-7-20-8-12(11)19-10/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyGSZXTHHPAMNCGZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.80
Rot. Bonds7

About 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid

5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid (PubChem CID 175163328) has the molecular formula C14H20O5S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid
PubChem CID175163328
Molecular FormulaC14H20O5S
Molecular Weight300.38 g/mol
Exact Mass300.10
IUPAC Name5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid
SMILESCC(C)(CCC(=O)O)COCC1COc2cscc2O1
InChIInChI=1S/C14H20O5S/c1-14(2,4-3-13(15)16)9-17-5-10-6-18-11-7-20-8-12(11)19-10/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyGSZXTHHPAMNCGZ-UHFFFAOYSA-N
XLogP2.80
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid?
The IUPAC name of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid (CID 175163328) is 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid.
What is the SMILES notation for 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid?
The canonical SMILES for 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid is CC(C)(CCC(=O)O)COCC1COc2cscc2O1.
What is the InChIKey of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid?
The InChIKey is GSZXTHHPAMNCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5S/c1-14(2,4-3-13(15)16)9-17-5-10-6-18-11-7-20-8-12(11)19-10/h7-8,10H,3-6,9H2,1-2H3,(H,15,16).
What are the key properties of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid?
5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid has a molecular weight of 300.38 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid is sourced from PubChem (CID 175163328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).