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

C20H20 — CID 173049288

IUPACspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]
SMILESC1=CC2CC1CC21CCc2cc3ccccc3cc2C1
InChIInChI=1S/C20H20/c1-2-4-16-11-18-13-20(12-14-5-6-19(20)9-14)8-7-17(18)10-15(16)3-1/h1-6,10-11,14,19H,7-9,12-13H2
InChIKeyYPZDBHNECHXVAX-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.91
Rot. Bonds

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

spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene] (PubChem CID 173049288) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene].

Molecular Properties

Compound Namespiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]
PubChem CID173049288
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Namespiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]
SMILESC1=CC2CC1CC21CCc2cc3ccccc3cc2C1
InChIInChI=1S/C20H20/c1-2-4-16-11-18-13-20(12-14-5-6-19(20)9-14)8-7-17(18)10-15(16)3-1/h1-6,10-11,14,19H,7-9,12-13H2
InChIKeyYPZDBHNECHXVAX-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Indeno(1,2,3-cd)pyrene
CID 9131
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154
Benzo(K)Fluoranthene
CID 9158
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932

Frequently Asked Questions

What is the IUPAC name of spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]?
The IUPAC name of spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene] (CID 173049288) is spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene].
What is the SMILES notation for spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]?
The canonical SMILES for spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene] is C1=CC2CC1CC21CCc2cc3ccccc3cc2C1.
What is the InChIKey of spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]?
The InChIKey is YPZDBHNECHXVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-2-4-16-11-18-13-20(12-14-5-6-19(20)9-14)8-7-17(18)10-15(16)3-1/h1-6,10-11,14,19H,7-9,12-13H2.
What are the key properties of spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]?
spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene] has a molecular weight of 260.38 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene] is sourced from PubChem (CID 173049288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).