5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]

C24H28 — CID 123543279

IUPAC5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
SMILESCC(C)Cc1cccc2cc3c(cc12)CC1(CC3)CC2=CCC1C2
InChIInChI=1S/C24H28/c1-16(2)10-19-4-3-5-20-12-18-8-9-24(15-21(18)13-23(19)20)14-17-6-7-22(24)11-17/h3-6,12-13,16,22H,7-11,14-15H2,1-2H3
InChIKeyGMUJTNGQRZMPPJ-UHFFFAOYSA-N
MW316.49 g/mol
LogP6.25
Rot. Bonds2

About 5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]

5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene] (PubChem CID 123543279) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is 5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene].

Molecular Properties

Compound Name5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
PubChem CID123543279
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Name5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
SMILESCC(C)Cc1cccc2cc3c(cc12)CC1(CC3)CC2=CCC1C2
InChIInChI=1S/C24H28/c1-16(2)10-19-4-3-5-20-12-18-8-9-24(15-21(18)13-23(19)20)14-17-6-7-22(24)11-17/h3-6,12-13,16,22H,7-11,14-15H2,1-2H3
InChIKeyGMUJTNGQRZMPPJ-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]?
The IUPAC name of 5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene] (CID 123543279) is 5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene].
What is the SMILES notation for 5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]?
The canonical SMILES for 5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene] is CC(C)Cc1cccc2cc3c(cc12)CC1(CC3)CC2=CCC1C2.
What is the InChIKey of 5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]?
The InChIKey is GMUJTNGQRZMPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28/c1-16(2)10-19-4-3-5-20-12-18-8-9-24(15-21(18)13-23(19)20)14-17-6-7-22(24)11-17/h3-6,12-13,16,22H,7-11,14-15H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]?
5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene] has a molecular weight of 316.49 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene] is sourced from PubChem (CID 123543279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).