5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene]

C23H28O2 — CID 20685087

IUPAC5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene]
SMILESCC(C)Oc1ccc2c(c1)CC1(C2)Cc2ccc(OC(C)C)cc2C1
InChIInChI=1S/C23H28O2/c1-15(2)24-21-7-5-17-11-23(13-19(17)9-21)12-18-6-8-22(25-16(3)4)10-20(18)14-23/h5-10,15-16H,11-14H2,1-4H3
InChIKeyRLWUGGSHIFCIDO-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.14
Rot. Bonds4

About 5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene]

5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene] (PubChem CID 20685087) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene].

Molecular Properties

Compound Name5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene]
PubChem CID20685087
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene]
SMILESCC(C)Oc1ccc2c(c1)CC1(C2)Cc2ccc(OC(C)C)cc2C1
InChIInChI=1S/C23H28O2/c1-15(2)24-21-7-5-17-11-23(13-19(17)9-21)12-18-6-8-22(25-16(3)4)10-20(18)14-23/h5-10,15-16H,11-14H2,1-4H3
InChIKeyRLWUGGSHIFCIDO-UHFFFAOYSA-N
XLogP5.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene]?
The IUPAC name of 5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene] (CID 20685087) is 5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene].
What is the SMILES notation for 5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene]?
The canonical SMILES for 5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene] is CC(C)Oc1ccc2c(c1)CC1(C2)Cc2ccc(OC(C)C)cc2C1.
What is the InChIKey of 5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene]?
The InChIKey is RLWUGGSHIFCIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-15(2)24-21-7-5-17-11-23(13-19(17)9-21)12-18-6-8-22(25-16(3)4)10-20(18)14-23/h5-10,15-16H,11-14H2,1-4H3.
What are the key properties of 5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene]?
5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene] has a molecular weight of 336.48 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene] is sourced from PubChem (CID 20685087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).