5-ethyl-1,1,1',1'-tetramethyl-5'-(2-methylprop-2-enyl)-3,3'-spirobi[2H-indene]

C27H34 — CID 59934579

IUPAC5-ethyl-1,1,1',1'-tetramethyl-5'-(2-methylprop-2-enyl)-3,3'-spirobi[2H-indene]
SMILESC=C(C)Cc1ccc2c(c1)C1(CC(C)(C)c3ccc(CC)cc31)CC2(C)C
InChIInChI=1S/C27H34/c1-8-19-9-11-21-23(14-19)27(16-25(21,4)5)17-26(6,7)22-12-10-20(13-18(2)3)15-24(22)27/h9-12,14-15H,2,8,13,16-17H2,1,3-7H3
InChIKeyBGDDYBDSBXDITI-UHFFFAOYSA-N
MW358.57 g/mol
LogP7.02
Rot. Bonds3

About 5-ethyl-1,1,1',1'-tetramethyl-5'-(2-methylprop-2-enyl)-3,3'-spirobi[2H-indene]

5-ethyl-1,1,1',1'-tetramethyl-5'-(2-methylprop-2-enyl)-3,3'-spirobi[2H-indene] (PubChem CID 59934579) has the molecular formula C27H34 and a molecular weight of 358.57 g/mol. Its IUPAC name is 5-ethyl-1,1,1',1'-tetramethyl-5'-(2-methylprop-2-enyl)-3,3'-spirobi[2H-indene].

Molecular Properties

Compound Name5-ethyl-1,1,1',1'-tetramethyl-5'-(2-methylprop-2-enyl)-3,3'-spirobi[2H-indene]
PubChem CID59934579
Molecular FormulaC27H34
Molecular Weight358.57 g/mol
Exact Mass358.27
IUPAC Name5-ethyl-1,1,1',1'-tetramethyl-5'-(2-methylprop-2-enyl)-3,3'-spirobi[2H-indene]
SMILESC=C(C)Cc1ccc2c(c1)C1(CC(C)(C)c3ccc(CC)cc31)CC2(C)C
InChIInChI=1S/C27H34/c1-8-19-9-11-21-23(14-19)27(16-25(21,4)5)17-26(6,7)22-12-10-20(13-18(2)3)15-24(22)27/h9-12,14-15H,2,8,13,16-17H2,1,3-7H3
InChIKeyBGDDYBDSBXDITI-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,1,1',1'-tetramethyl-5'-(2-methylprop-2-enyl)-3,3'-spirobi[2H-indene]?
The IUPAC name of 5-ethyl-1,1,1',1'-tetramethyl-5'-(2-methylprop-2-enyl)-3,3'-spirobi[2H-indene] (CID 59934579) is 5-ethyl-1,1,1',1'-tetramethyl-5'-(2-methylprop-2-enyl)-3,3'-spirobi[2H-indene].
What is the SMILES notation for 5-ethyl-1,1,1',1'-tetramethyl-5'-(2-methylprop-2-enyl)-3,3'-spirobi[2H-indene]?
The canonical SMILES for 5-ethyl-1,1,1',1'-tetramethyl-5'-(2-methylprop-2-enyl)-3,3'-spirobi[2H-indene] is C=C(C)Cc1ccc2c(c1)C1(CC(C)(C)c3ccc(CC)cc31)CC2(C)C.
What is the InChIKey of 5-ethyl-1,1,1',1'-tetramethyl-5'-(2-methylprop-2-enyl)-3,3'-spirobi[2H-indene]?
The InChIKey is BGDDYBDSBXDITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34/c1-8-19-9-11-21-23(14-19)27(16-25(21,4)5)17-26(6,7)22-12-10-20(13-18(2)3)15-24(22)27/h9-12,14-15H,2,8,13,16-17H2,1,3-7H3.
What are the key properties of 5-ethyl-1,1,1',1'-tetramethyl-5'-(2-methylprop-2-enyl)-3,3'-spirobi[2H-indene]?
5-ethyl-1,1,1',1'-tetramethyl-5'-(2-methylprop-2-enyl)-3,3'-spirobi[2H-indene] has a molecular weight of 358.57 g/mol, XLogP of 7.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,1,1',1'-tetramethyl-5'-(2-methylprop-2-enyl)-3,3'-spirobi[2H-indene] is sourced from PubChem (CID 59934579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).