5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethylpentanoic acid

C15H20O4 — CID 62930551

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethylpentanoic acid
SMILESCC(C)(CCc1ccc2c(c1)OCCO2)CC(=O)O
InChIInChI=1S/C15H20O4/c1-15(2,10-14(16)17)6-5-11-3-4-12-13(9-11)19-8-7-18-12/h3-4,9H,5-8,10H2,1-2H3,(H,16,17)
InChIKeyGXGNMRRZWZBIBB-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.89
Rot. Bonds5

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethylpentanoic acid

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethylpentanoic acid (PubChem CID 62930551) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethylpentanoic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethylpentanoic acid
PubChem CID62930551
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethylpentanoic acid
SMILESCC(C)(CCc1ccc2c(c1)OCCO2)CC(=O)O
InChIInChI=1S/C15H20O4/c1-15(2,10-14(16)17)6-5-11-3-4-12-13(9-11)19-8-7-18-12/h3-4,9H,5-8,10H2,1-2H3,(H,16,17)
InChIKeyGXGNMRRZWZBIBB-UHFFFAOYSA-N
XLogP2.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-3-methylbutanoic acid
CID 82481446
3-(aminomethyl)-5-(1,3-benzodioxol-5-yl)-3-methylpentanoic acid
CID 66096422
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65308436
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-methylamino]acetic acid
CID 82382573
5-(4-iodophenyl)-3,3-dimethylpentanoic acid
CID 62930555
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-methylpropanoic acid
CID 115127938
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65309028
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-2-methylpropanoic acid
CID 75417912
3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid
CID 63535833
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-hydroxybutanoic acid
CID 62395413
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-methylamino]acetic acid
CID 82486581
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbutanoic acid
CID 82116705

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethylpentanoic acid?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethylpentanoic acid (CID 62930551) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethylpentanoic acid.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethylpentanoic acid?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethylpentanoic acid is CC(C)(CCc1ccc2c(c1)OCCO2)CC(=O)O.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethylpentanoic acid?
The InChIKey is GXGNMRRZWZBIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-15(2,10-14(16)17)6-5-11-3-4-12-13(9-11)19-8-7-18-12/h3-4,9H,5-8,10H2,1-2H3,(H,16,17).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethylpentanoic acid?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethylpentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethylpentanoic acid is sourced from PubChem (CID 62930551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).