8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]

C24H28 — CID 173380701

IUPAC8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]
SMILESCC(C)Cc1cccc2cc3c(cc12)CCCC31CC2C=CC1C2
InChIInChI=1S/C24H28/c1-16(2)11-18-5-3-6-19-14-23-20(13-22(18)19)7-4-10-24(23)15-17-8-9-21(24)12-17/h3,5-6,8-9,13-14,16-17,21H,4,7,10-12,15H2,1-2H3
InChIKeyFGMBSUVOVKHBDE-UHFFFAOYSA-N
MW316.49 g/mol
LogP6.21
Rot. Bonds2

About 8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]

8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene] (PubChem CID 173380701) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is 8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene].

Molecular Properties

Compound Name8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]
PubChem CID173380701
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Name8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]
SMILESCC(C)Cc1cccc2cc3c(cc12)CCCC31CC2C=CC1C2
InChIInChI=1S/C24H28/c1-16(2)11-18-5-3-6-19-14-23-20(13-22(18)19)7-4-10-24(23)15-17-8-9-21(24)12-17/h3,5-6,8-9,13-14,16-17,21H,4,7,10-12,15H2,1-2H3
InChIKeyFGMBSUVOVKHBDE-UHFFFAOYSA-N
XLogP6.21
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 ≤ 56.21
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 8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]?
The IUPAC name of 8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene] (CID 173380701) is 8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene].
What is the SMILES notation for 8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]?
The canonical SMILES for 8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene] is CC(C)Cc1cccc2cc3c(cc12)CCCC31CC2C=CC1C2.
What is the InChIKey of 8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]?
The InChIKey is FGMBSUVOVKHBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28/c1-16(2)11-18-5-3-6-19-14-23-20(13-22(18)19)7-4-10-24(23)15-17-8-9-21(24)12-17/h3,5-6,8-9,13-14,16-17,21H,4,7,10-12,15H2,1-2H3.
What are the key properties of 8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]?
8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene] has a molecular weight of 316.49 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene] is sourced from PubChem (CID 173380701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).