1',1',3,3,4,5',6,6'-octamethyl-1,3'-spirobi[2H-indene]

C25H32 — CID 54544142

IUPAC1',1',3,3,4,5',6,6'-octamethyl-1,3'-spirobi[2H-indene]
SMILESCc1cc(C)c2c(c1)C1(CC(C)(C)c3cc(C)c(C)cc31)CC2(C)C
InChIInChI=1S/C25H32/c1-15-9-18(4)22-21(10-15)25(14-24(22,7)8)13-23(5,6)19-11-16(2)17(3)12-20(19)25/h9-12H,13-14H2,1-8H3
InChIKeyZFJARJLLORNENI-UHFFFAOYSA-N
MW332.53 g/mol
LogP6.57
Rot. Bonds

About 1',1',3,3,4,5',6,6'-octamethyl-1,3'-spirobi[2H-indene]

1',1',3,3,4,5',6,6'-octamethyl-1,3'-spirobi[2H-indene] (PubChem CID 54544142) has the molecular formula C25H32 and a molecular weight of 332.53 g/mol. Its IUPAC name is 1',1',3,3,4,5',6,6'-octamethyl-1,3'-spirobi[2H-indene].

Molecular Properties

Compound Name1',1',3,3,4,5',6,6'-octamethyl-1,3'-spirobi[2H-indene]
PubChem CID54544142
Molecular FormulaC25H32
Molecular Weight332.53 g/mol
Exact Mass332.25
IUPAC Name1',1',3,3,4,5',6,6'-octamethyl-1,3'-spirobi[2H-indene]
SMILESCc1cc(C)c2c(c1)C1(CC(C)(C)c3cc(C)c(C)cc31)CC2(C)C
InChIInChI=1S/C25H32/c1-15-9-18(4)22-21(10-15)25(14-24(22,7)8)13-23(5,6)19-11-16(2)17(3)12-20(19)25/h9-12H,13-14H2,1-8H3
InChIKeyZFJARJLLORNENI-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1',1',3,3,4,5',6,6'-octamethyl-1,3'-spirobi[2H-indene]?
The IUPAC name of 1',1',3,3,4,5',6,6'-octamethyl-1,3'-spirobi[2H-indene] (CID 54544142) is 1',1',3,3,4,5',6,6'-octamethyl-1,3'-spirobi[2H-indene].
What is the SMILES notation for 1',1',3,3,4,5',6,6'-octamethyl-1,3'-spirobi[2H-indene]?
The canonical SMILES for 1',1',3,3,4,5',6,6'-octamethyl-1,3'-spirobi[2H-indene] is Cc1cc(C)c2c(c1)C1(CC(C)(C)c3cc(C)c(C)cc31)CC2(C)C.
What is the InChIKey of 1',1',3,3,4,5',6,6'-octamethyl-1,3'-spirobi[2H-indene]?
The InChIKey is ZFJARJLLORNENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32/c1-15-9-18(4)22-21(10-15)25(14-24(22,7)8)13-23(5,6)19-11-16(2)17(3)12-20(19)25/h9-12H,13-14H2,1-8H3.
What are the key properties of 1',1',3,3,4,5',6,6'-octamethyl-1,3'-spirobi[2H-indene]?
1',1',3,3,4,5',6,6'-octamethyl-1,3'-spirobi[2H-indene] has a molecular weight of 332.53 g/mol, XLogP of 6.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1',3,3,4,5',6,6'-octamethyl-1,3'-spirobi[2H-indene] is sourced from PubChem (CID 54544142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).