4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]

C13H16O2 — CID 58591674

IUPAC4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESCc1ccc(C)c2c1CCC21OCCO1
InChIInChI=1S/C13H16O2/c1-9-3-4-10(2)12-11(9)5-6-13(12)14-7-8-15-13/h3-4H,5-8H2,1-2H3
InChIKeyBTRCLIQBLMDOMW-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.45
Rot. Bonds

About 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]

4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (PubChem CID 58591674) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane].

Molecular Properties

Compound Name4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
PubChem CID58591674
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESCc1ccc(C)c2c1CCC21OCCO1
InChIInChI=1S/C13H16O2/c1-9-3-4-10(2)12-11(9)5-6-13(12)14-7-8-15-13/h3-4H,5-8H2,1-2H3
InChIKeyBTRCLIQBLMDOMW-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The IUPAC name of 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (CID 58591674) is 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane].
What is the SMILES notation for 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The canonical SMILES for 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is Cc1ccc(C)c2c1CCC21OCCO1.
What is the InChIKey of 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The InChIKey is BTRCLIQBLMDOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-3-4-10(2)12-11(9)5-6-13(12)14-7-8-15-13/h3-4H,5-8H2,1-2H3.
What are the key properties of 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] has a molecular weight of 204.27 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is sourced from PubChem (CID 58591674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).