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

C20H20 — CID 123433120

IUPACspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
SMILESC1=C2CC(C1)C1(CCc3cc4ccccc4cc3C1)C2
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/h1-5,10-11,19H,6-9,12-13H2
InChIKeyHVATUUVZBCQZEQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.05
Rot. Bonds

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

spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene] (PubChem CID 123433120) 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-1-ene].

Molecular Properties

Compound Namespiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
PubChem CID123433120
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Namespiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
SMILESC1=C2CC(C1)C1(CCc3cc4ccccc4cc3C1)C2
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/h1-5,10-11,19H,6-9,12-13H2
InChIKeyHVATUUVZBCQZEQ-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.05
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

spiro[6,8-dihydro-5H-anthracene-7,5'-bicyclo[2.2.1]hept-1-ene]-1-amine
CID 67993586
6-cyclohexylspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 123151162
5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 123543279
5-butan-2-ylspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 123695750
6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 123339961
8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 123207863
spiro[2,3-dihydroanthracene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67142770
spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]
CID 173049288
6-phenylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67993629
6-propylspiro[2,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67993801
spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine
CID 67994387
7-aminospiro[1,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67993823

Frequently Asked Questions

What is the IUPAC name of spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]?
The IUPAC name of spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene] (CID 123433120) is spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene].
What is the SMILES notation for spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]?
The canonical SMILES for spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene] is C1=C2CC(C1)C1(CCc3cc4ccccc4cc3C1)C2.
What is the InChIKey of spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]?
The InChIKey is HVATUUVZBCQZEQ-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/h1-5,10-11,19H,6-9,12-13H2.
What are the key properties of spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]?
spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene] has a molecular weight of 260.38 g/mol, XLogP of 5.05, 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-1-ene] is sourced from PubChem (CID 123433120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).