4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane

C25H36O2 — CID 145190891

IUPAC4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane
SMILESCC.CC.COc1c(C)ccc2c1C1(CC2)CCc2ccc(C)c(OC)c21
InChIInChI=1S/C21H24O2.2C2H6/c1-13-5-7-15-9-11-21(17(15)19(13)22-3)12-10-16-8-6-14(2)20(23-4)18(16)21;2*1-2/h5-8H,9-12H2,1-4H3;2*1-2H3
InChIKeyUOBZUZZRNGCFFX-UHFFFAOYSA-N
MW368.56 g/mol
LogP6.55
Rot. Bonds2

About 4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane

4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane (PubChem CID 145190891) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is 4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane.

Molecular Properties

Compound Name4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane
PubChem CID145190891
Molecular FormulaC25H36O2
Molecular Weight368.56 g/mol
Exact Mass368.27
IUPAC Name4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane
SMILESCC.CC.COc1c(C)ccc2c1C1(CC2)CCc2ccc(C)c(OC)c21
InChIInChI=1S/C21H24O2.2C2H6/c1-13-5-7-15-9-11-21(17(15)19(13)22-3)12-10-16-8-6-14(2)20(23-4)18(16)21;2*1-2/h5-8H,9-12H2,1-4H3;2*1-2H3
InChIKeyUOBZUZZRNGCFFX-UHFFFAOYSA-N
XLogP6.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane?
The IUPAC name of 4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane (CID 145190891) is 4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane.
What is the SMILES notation for 4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane?
The canonical SMILES for 4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane is CC.CC.COc1c(C)ccc2c1C1(CC2)CCc2ccc(C)c(OC)c21.
What is the InChIKey of 4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane?
The InChIKey is UOBZUZZRNGCFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2.2C2H6/c1-13-5-7-15-9-11-21(17(15)19(13)22-3)12-10-16-8-6-14(2)20(23-4)18(16)21;2*1-2/h5-8H,9-12H2,1-4H3;2*1-2H3.
What are the key properties of 4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane?
4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane has a molecular weight of 368.56 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane is sourced from PubChem (CID 145190891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).