2-[(5,5-dimethyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol

C15H23NO2 — CID 116522955

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
SMILESCC1(C)CCC(Cn2cc3c(c2)C(O)CCC3)O1
InChIInChI=1S/C15H23NO2/c1-15(2)7-6-12(18-15)9-16-8-11-4-3-5-14(17)13(11)10-16/h8,10,12,14,17H,3-7,9H2,1-2H3
InChIKeyOCUIYSSCTKMNKJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.82
Rot. Bonds2

About 2-[(5,5-dimethyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol

2-[(5,5-dimethyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol (PubChem CID 116522955) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
PubChem CID116522955
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
SMILESCC1(C)CCC(Cn2cc3c(c2)C(O)CCC3)O1
InChIInChI=1S/C15H23NO2/c1-15(2)7-6-12(18-15)9-16-8-11-4-3-5-14(17)13(11)10-16/h8,10,12,14,17H,3-7,9H2,1-2H3
InChIKeyOCUIYSSCTKMNKJ-UHFFFAOYSA-N
XLogP2.82
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol (CID 116522955) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol is CC1(C)CCC(Cn2cc3c(c2)C(O)CCC3)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The InChIKey is OCUIYSSCTKMNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2)7-6-12(18-15)9-16-8-11-4-3-5-14(17)13(11)10-16/h8,10,12,14,17H,3-7,9H2,1-2H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
2-[(5,5-dimethyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol has a molecular weight of 249.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol is sourced from PubChem (CID 116522955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).