2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid

C17H22O3 — CID 116525028

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCC1(C)CCC(CC2(C(=O)O)Cc3ccccc3C2)O1
InChIInChI=1S/C17H22O3/c1-16(2)8-7-14(20-16)11-17(15(18)19)9-12-5-3-4-6-13(12)10-17/h3-6,14H,7-11H2,1-2H3,(H,18,19)
InChIKeyMRFVQPZIXYYUGL-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.20
Rot. Bonds3

About 2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid

2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 116525028) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID116525028
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCC1(C)CCC(CC2(C(=O)O)Cc3ccccc3C2)O1
InChIInChI=1S/C17H22O3/c1-16(2)8-7-14(20-16)11-17(15(18)19)9-12-5-3-4-6-13(12)10-17/h3-6,14H,7-11H2,1-2H3,(H,18,19)
InChIKeyMRFVQPZIXYYUGL-UHFFFAOYSA-N
XLogP3.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid
CID 116522822
2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid
CID 79429733
2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid
CID 65407568
2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-phenylacetic acid
CID 116522706
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid
CID 66363294
2-[(5,5-dimethyloxolan-2-yl)methyl]thiolane-2-carboxylic acid
CID 116525032
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol
CID 116525293
3-(5,5-dimethyloxolan-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 104889540
2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 79558584
3-(5,5-dimethyloxolan-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 104889539
1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 116522721

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid (CID 116525028) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid is CC1(C)CCC(CC2(C(=O)O)Cc3ccccc3C2)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is MRFVQPZIXYYUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-16(2)8-7-14(20-16)11-17(15(18)19)9-12-5-3-4-6-13(12)10-17/h3-6,14H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid?
2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 116525028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).