1,1,3',3'-tetramethylspiro[2H-indene-3,1'-3a,4,5,6-tetrahydro-2H-indene]

C21H28 — CID 150936317

IUPAC1,1,3',3'-tetramethylspiro[2H-indene-3,1'-3a,4,5,6-tetrahydro-2H-indene]
SMILESCC1(C)CC2(CC(C)(C)C3CCCC=C32)c2ccccc21
InChIInChI=1S/C21H28/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/h5,7,9,11-12,16H,6,8,10,13-14H2,1-4H3
InChIKeyLHCHNMKMNCFQRQ-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.76
Rot. Bonds

About 1,1,3',3'-tetramethylspiro[2H-indene-3,1'-3a,4,5,6-tetrahydro-2H-indene]

1,1,3',3'-tetramethylspiro[2H-indene-3,1'-3a,4,5,6-tetrahydro-2H-indene] (PubChem CID 150936317) has the molecular formula C21H28 and a molecular weight of 280.45 g/mol. Its IUPAC name is 1,1,3',3'-tetramethylspiro[2H-indene-3,1'-3a,4,5,6-tetrahydro-2H-indene].

Molecular Properties

Compound Name1,1,3',3'-tetramethylspiro[2H-indene-3,1'-3a,4,5,6-tetrahydro-2H-indene]
PubChem CID150936317
Molecular FormulaC21H28
Molecular Weight280.45 g/mol
Exact Mass280.22
IUPAC Name1,1,3',3'-tetramethylspiro[2H-indene-3,1'-3a,4,5,6-tetrahydro-2H-indene]
SMILESCC1(C)CC2(CC(C)(C)C3CCCC=C32)c2ccccc21
InChIInChI=1S/C21H28/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/h5,7,9,11-12,16H,6,8,10,13-14H2,1-4H3
InChIKeyLHCHNMKMNCFQRQ-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.76
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 1,1,3',3'-tetramethylspiro[2H-indene-3,1'-3a,4,5,6-tetrahydro-2H-indene]?
The IUPAC name of 1,1,3',3'-tetramethylspiro[2H-indene-3,1'-3a,4,5,6-tetrahydro-2H-indene] (CID 150936317) is 1,1,3',3'-tetramethylspiro[2H-indene-3,1'-3a,4,5,6-tetrahydro-2H-indene].
What is the SMILES notation for 1,1,3',3'-tetramethylspiro[2H-indene-3,1'-3a,4,5,6-tetrahydro-2H-indene]?
The canonical SMILES for 1,1,3',3'-tetramethylspiro[2H-indene-3,1'-3a,4,5,6-tetrahydro-2H-indene] is CC1(C)CC2(CC(C)(C)C3CCCC=C32)c2ccccc21.
What is the InChIKey of 1,1,3',3'-tetramethylspiro[2H-indene-3,1'-3a,4,5,6-tetrahydro-2H-indene]?
The InChIKey is LHCHNMKMNCFQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28/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/h5,7,9,11-12,16H,6,8,10,13-14H2,1-4H3.
What are the key properties of 1,1,3',3'-tetramethylspiro[2H-indene-3,1'-3a,4,5,6-tetrahydro-2H-indene]?
1,1,3',3'-tetramethylspiro[2H-indene-3,1'-3a,4,5,6-tetrahydro-2H-indene] has a molecular weight of 280.45 g/mol, XLogP of 5.76, 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'-tetramethylspiro[2H-indene-3,1'-3a,4,5,6-tetrahydro-2H-indene] is sourced from PubChem (CID 150936317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).