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

C17H20O — CID 67993833

IUPAC5-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
SMILESCOc1cccc2c1C1(CCC2)CC2C=CC1C2
InChIInChI=1S/C17H20O/c1-18-15-6-2-4-13-5-3-9-17(16(13)15)11-12-7-8-14(17)10-12/h2,4,6-8,12,14H,3,5,9-11H2,1H3
InChIKeyAHMPJUCPAJLFJL-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.87
Rot. Bonds1

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

5-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] (PubChem CID 67993833) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene].

Molecular Properties

Compound Name5-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
PubChem CID67993833
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name5-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
SMILESCOc1cccc2c1C1(CCC2)CC2C=CC1C2
InChIInChI=1S/C17H20O/c1-18-15-6-2-4-13-5-3-9-17(16(13)15)11-12-7-8-14(17)10-12/h2,4,6-8,12,14H,3,5,9-11H2,1H3
InChIKeyAHMPJUCPAJLFJL-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]?
The IUPAC name of 5-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] (CID 67993833) is 5-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene].
What is the SMILES notation for 5-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]?
The canonical SMILES for 5-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] is COc1cccc2c1C1(CCC2)CC2C=CC1C2.
What is the InChIKey of 5-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]?
The InChIKey is AHMPJUCPAJLFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-18-15-6-2-4-13-5-3-9-17(16(13)15)11-12-7-8-14(17)10-12/h2,4,6-8,12,14H,3,5,9-11H2,1H3.
What are the key properties of 5-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]?
5-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] has a molecular weight of 240.35 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] is sourced from PubChem (CID 67993833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).