ethane;4-methoxy-7-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]

C15H22O — CID 144506452

IUPACethane;4-methoxy-7-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]
SMILESCC.COc1ccc(C)c2c1CC1(CC1)C2
InChIInChI=1S/C13H16O.C2H6/c1-9-3-4-12(14-2)11-8-13(5-6-13)7-10(9)11;1-2/h3-4H,5-8H2,1-2H3;1-2H3
InChIKeyXYEVGHDSWMFTKF-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.91
Rot. Bonds1

About ethane;4-methoxy-7-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]

ethane;4-methoxy-7-methylspiro[1,3-dihydroindene-2,1'-cyclopropane] (PubChem CID 144506452) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is ethane;4-methoxy-7-methylspiro[1,3-dihydroindene-2,1'-cyclopropane].

Molecular Properties

Compound Nameethane;4-methoxy-7-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]
PubChem CID144506452
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Nameethane;4-methoxy-7-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]
SMILESCC.COc1ccc(C)c2c1CC1(CC1)C2
InChIInChI=1S/C13H16O.C2H6/c1-9-3-4-12(14-2)11-8-13(5-6-13)7-10(9)11;1-2/h3-4H,5-8H2,1-2H3;1-2H3
InChIKeyXYEVGHDSWMFTKF-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-7-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]?
The IUPAC name of ethane;4-methoxy-7-methylspiro[1,3-dihydroindene-2,1'-cyclopropane] (CID 144506452) is ethane;4-methoxy-7-methylspiro[1,3-dihydroindene-2,1'-cyclopropane].
What is the SMILES notation for ethane;4-methoxy-7-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]?
The canonical SMILES for ethane;4-methoxy-7-methylspiro[1,3-dihydroindene-2,1'-cyclopropane] is CC.COc1ccc(C)c2c1CC1(CC1)C2.
What is the InChIKey of ethane;4-methoxy-7-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]?
The InChIKey is XYEVGHDSWMFTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O.C2H6/c1-9-3-4-12(14-2)11-8-13(5-6-13)7-10(9)11;1-2/h3-4H,5-8H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methoxy-7-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]?
ethane;4-methoxy-7-methylspiro[1,3-dihydroindene-2,1'-cyclopropane] has a molecular weight of 218.34 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-7-methylspiro[1,3-dihydroindene-2,1'-cyclopropane] is sourced from PubChem (CID 144506452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).