(2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane]

C13H16O — CID 166439861

IUPAC(2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane]
SMILESC[C@@H]1CC2(CO1)Cc1ccccc1C2
InChIInChI=1S/C13H16O/c1-10-6-13(9-14-10)7-11-4-2-3-5-12(11)8-13/h2-5,10H,6-9H2,1H3/t10-/m1/s1
InChIKeyDEBOKAMXDURVDF-SNVBAGLBSA-N
MW188.27 g/mol
LogP2.58
Rot. Bonds

About (2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane]

(2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane] (PubChem CID 166439861) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane].

Molecular Properties

Compound Name(2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane]
PubChem CID166439861
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane]
SMILESC[C@@H]1CC2(CO1)Cc1ccccc1C2
InChIInChI=1S/C13H16O/c1-10-6-13(9-14-10)7-11-4-2-3-5-12(11)8-13/h2-5,10H,6-9H2,1H3/t10-/m1/s1
InChIKeyDEBOKAMXDURVDF-SNVBAGLBSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane]?
The IUPAC name of (2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane] (CID 166439861) is (2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane].
What is the SMILES notation for (2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane]?
The canonical SMILES for (2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane] is C[C@@H]1CC2(CO1)Cc1ccccc1C2.
What is the InChIKey of (2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane]?
The InChIKey is DEBOKAMXDURVDF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16O/c1-10-6-13(9-14-10)7-11-4-2-3-5-12(11)8-13/h2-5,10H,6-9H2,1H3/t10-/m1/s1.
What are the key properties of (2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane]?
(2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane] has a molecular weight of 188.27 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane] is sourced from PubChem (CID 166439861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).