7-methylspiro[1,2-dihydroindene-3,2'-oxetane]

C12H14O — CID 84618324

IUPAC7-methylspiro[1,2-dihydroindene-3,2'-oxetane]
SMILESCc1cccc2c1CCC21CCO1
InChIInChI=1S/C12H14O/c1-9-3-2-4-11-10(9)5-6-12(11)7-8-13-12/h2-4H,5-8H2,1H3
InChIKeyORZJMXIBZNHAES-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.56
Rot. Bonds

About 7-methylspiro[1,2-dihydroindene-3,2'-oxetane]

7-methylspiro[1,2-dihydroindene-3,2'-oxetane] (PubChem CID 84618324) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 7-methylspiro[1,2-dihydroindene-3,2'-oxetane].

Molecular Properties

Compound Name7-methylspiro[1,2-dihydroindene-3,2'-oxetane]
PubChem CID84618324
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name7-methylspiro[1,2-dihydroindene-3,2'-oxetane]
SMILESCc1cccc2c1CCC21CCO1
InChIInChI=1S/C12H14O/c1-9-3-2-4-11-10(9)5-6-12(11)7-8-13-12/h2-4H,5-8H2,1H3
InChIKeyORZJMXIBZNHAES-UHFFFAOYSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methylspiro[1,2-dihydroindene-3,2'-oxetane]?
The IUPAC name of 7-methylspiro[1,2-dihydroindene-3,2'-oxetane] (CID 84618324) is 7-methylspiro[1,2-dihydroindene-3,2'-oxetane].
What is the SMILES notation for 7-methylspiro[1,2-dihydroindene-3,2'-oxetane]?
The canonical SMILES for 7-methylspiro[1,2-dihydroindene-3,2'-oxetane] is Cc1cccc2c1CCC21CCO1.
What is the InChIKey of 7-methylspiro[1,2-dihydroindene-3,2'-oxetane]?
The InChIKey is ORZJMXIBZNHAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-9-3-2-4-11-10(9)5-6-12(11)7-8-13-12/h2-4H,5-8H2,1H3.
What are the key properties of 7-methylspiro[1,2-dihydroindene-3,2'-oxetane]?
7-methylspiro[1,2-dihydroindene-3,2'-oxetane] has a molecular weight of 174.24 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylspiro[1,2-dihydroindene-3,2'-oxetane] is sourced from PubChem (CID 84618324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).