1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]

C21H24 — CID 621575

IUPAC1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]
SMILESCC1(C)CC2(CC(C)(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C21H24/c1-19(2)13-21(17-11-7-5-9-15(17)19)14-20(3,4)16-10-6-8-12-18(16)21/h5-12H,13-14H2,1-4H3
InChIKeyMCVKQPXDZUEQQX-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.34
Rot. Bonds

About 1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]

1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene] (PubChem CID 621575) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene].

Molecular Properties

Compound Name1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]
PubChem CID621575
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]
SMILESCC1(C)CC2(CC(C)(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C21H24/c1-19(2)13-21(17-11-7-5-9-15(17)19)14-20(3,4)16-10-6-8-12-18(16)21/h5-12H,13-14H2,1-4H3
InChIKeyMCVKQPXDZUEQQX-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]?
The IUPAC name of 1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene] (CID 621575) is 1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene].
What is the SMILES notation for 1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]?
The canonical SMILES for 1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene] is CC1(C)CC2(CC(C)(C)c3ccccc32)c2ccccc21.
What is the InChIKey of 1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]?
The InChIKey is MCVKQPXDZUEQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24/c1-19(2)13-21(17-11-7-5-9-15(17)19)14-20(3,4)16-10-6-8-12-18(16)21/h5-12H,13-14H2,1-4H3.
What are the key properties of 1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]?
1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene] has a molecular weight of 276.42 g/mol, XLogP of 5.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene] is sourced from PubChem (CID 621575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).