8-propylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]

C23H26 — CID 173380669

IUPAC8-propylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]
SMILESCCCc1cccc2cc3c(cc12)CCCC31CC2C=CC1C2
InChIInChI=1S/C23H26/c1-2-5-17-6-3-7-18-14-22-19(13-21(17)18)8-4-11-23(22)15-16-9-10-20(23)12-16/h3,6-7,9-10,13-14,16,20H,2,4-5,8,11-12,15H2,1H3
InChIKeyAEOFDSPOSFOWJQ-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.96
Rot. Bonds2

About 8-propylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]

8-propylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene] (PubChem CID 173380669) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is 8-propylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene].

Molecular Properties

Compound Name8-propylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]
PubChem CID173380669
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Name8-propylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]
SMILESCCCc1cccc2cc3c(cc12)CCCC31CC2C=CC1C2
InChIInChI=1S/C23H26/c1-2-5-17-6-3-7-18-14-22-19(13-21(17)18)8-4-11-23(22)15-16-9-10-20(23)12-16/h3,6-7,9-10,13-14,16,20H,2,4-5,8,11-12,15H2,1H3
InChIKeyAEOFDSPOSFOWJQ-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.96
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-propylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]?
The IUPAC name of 8-propylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene] (CID 173380669) is 8-propylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene].
What is the SMILES notation for 8-propylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]?
The canonical SMILES for 8-propylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene] is CCCc1cccc2cc3c(cc12)CCCC31CC2C=CC1C2.
What is the InChIKey of 8-propylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]?
The InChIKey is AEOFDSPOSFOWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26/c1-2-5-17-6-3-7-18-14-22-19(13-21(17)18)8-4-11-23(22)15-16-9-10-20(23)12-16/h3,6-7,9-10,13-14,16,20H,2,4-5,8,11-12,15H2,1H3.
What are the key properties of 8-propylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]?
8-propylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene] has a molecular weight of 302.46 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene] is sourced from PubChem (CID 173380669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).