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

C26H30 — CID 173380570

IUPAC6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene]
SMILESC1=C2CC(C1)C1(CCCc3cc4ccc(C5CCCCC5)cc4cc31)C2
InChIInChI=1S/C26H30/c1-2-5-19(6-3-1)20-9-10-21-14-22-7-4-12-26(25(22)16-23(21)15-20)17-18-8-11-24(26)13-18/h8-10,14-16,19,24H,1-7,11-13,17H2
InChIKeyOTBRACFSEOIPFB-UHFFFAOYSA-N
MW342.53 g/mol
LogP7.20
Rot. Bonds1

About 6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene]

6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene] (PubChem CID 173380570) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene].

Molecular Properties

Compound Name6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene]
PubChem CID173380570
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene]
SMILESC1=C2CC(C1)C1(CCCc3cc4ccc(C5CCCCC5)cc4cc31)C2
InChIInChI=1S/C26H30/c1-2-5-19(6-3-1)20-9-10-21-14-22-7-4-12-26(25(22)16-23(21)15-20)17-18-8-11-24(26)13-18/h8-10,14-16,19,24H,1-7,11-13,17H2
InChIKeyOTBRACFSEOIPFB-UHFFFAOYSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 57.20
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 6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene]?
The IUPAC name of 6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene] (CID 173380570) is 6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene].
What is the SMILES notation for 6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene]?
The canonical SMILES for 6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene] is C1=C2CC(C1)C1(CCCc3cc4ccc(C5CCCCC5)cc4cc31)C2.
What is the InChIKey of 6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene]?
The InChIKey is OTBRACFSEOIPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-2-5-19(6-3-1)20-9-10-21-14-22-7-4-12-26(25(22)16-23(21)15-20)17-18-8-11-24(26)13-18/h8-10,14-16,19,24H,1-7,11-13,17H2.
What are the key properties of 6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene]?
6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene] has a molecular weight of 342.53 g/mol, XLogP of 7.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene] is sourced from PubChem (CID 173380570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).