8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]

C20H26 — CID 123207863

IUPAC8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]
SMILESCC(C)Cc1cccc2c1CCC1(CC3=CCC1C3)C2
InChIInChI=1S/C20H26/c1-14(2)10-16-4-3-5-17-13-20(9-8-19(16)17)12-15-6-7-18(20)11-15/h3-6,14,18H,7-13H2,1-2H3
InChIKeyHTPPPSYSHWFUFB-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.10
Rot. Bonds2

About 8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]

8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene] (PubChem CID 123207863) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene].

Molecular Properties

Compound Name8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]
PubChem CID123207863
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]
SMILESCC(C)Cc1cccc2c1CCC1(CC3=CCC1C3)C2
InChIInChI=1S/C20H26/c1-14(2)10-16-4-3-5-17-13-20(9-8-19(16)17)12-15-6-7-18(20)11-15/h3-6,14,18H,7-13H2,1-2H3
InChIKeyHTPPPSYSHWFUFB-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene] with MolForge

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Related Compounds

5-(2-methylpropyl)spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 123543279
8-(2-methylpropyl)spiro[3,4-dihydronaphthalene-2,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67144251
5-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143952
5-butan-2-ylspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 123695750
4-(2-methylpropyl)-1,3-dihydro-2-benzofuran
CID 122663965
8-propan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143181
5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
CID 173380787
8-(2-methylpropyl)spiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67143165
5-propylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67993316
6-cyclohexylspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 123151162
1-(2-methylpropyl)-9H-fluorene
CID 87557268
5-chlorospiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
CID 67993898

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]?
The IUPAC name of 8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene] (CID 123207863) is 8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene].
What is the SMILES notation for 8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]?
The canonical SMILES for 8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene] is CC(C)Cc1cccc2c1CCC1(CC3=CCC1C3)C2.
What is the InChIKey of 8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]?
The InChIKey is HTPPPSYSHWFUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-14(2)10-16-4-3-5-17-13-20(9-8-19(16)17)12-15-6-7-18(20)11-15/h3-6,14,18H,7-13H2,1-2H3.
What are the key properties of 8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]?
8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene] has a molecular weight of 266.43 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene] is sourced from PubChem (CID 123207863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).