7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]

C20H26 — CID 173380727

IUPAC7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
SMILESCC(C)Cc1ccc2c(c1)CCCC21CC2C=CC1C2
InChIInChI=1S/C20H26/c1-14(2)10-15-6-8-19-17(11-15)4-3-9-20(19)13-16-5-7-18(20)12-16/h5-8,11,14,16,18H,3-4,9-10,12-13H2,1-2H3
InChIKeyMEPMKRVFKFZUQW-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.06
Rot. Bonds2

About 7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]

7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] (PubChem CID 173380727) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene].

Molecular Properties

Compound Name7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
PubChem CID173380727
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
SMILESCC(C)Cc1ccc2c(c1)CCCC21CC2C=CC1C2
InChIInChI=1S/C20H26/c1-14(2)10-15-6-8-19-17(11-15)4-3-9-20(19)13-16-5-7-18(20)12-16/h5-8,11,14,16,18H,3-4,9-10,12-13H2,1-2H3
InChIKeyMEPMKRVFKFZUQW-UHFFFAOYSA-N
XLogP5.06
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 ≤ 55.06
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 7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]?
The IUPAC name of 7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] (CID 173380727) is 7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene].
What is the SMILES notation for 7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]?
The canonical SMILES for 7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] is CC(C)Cc1ccc2c(c1)CCCC21CC2C=CC1C2.
What is the InChIKey of 7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]?
The InChIKey is MEPMKRVFKFZUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-14(2)10-15-6-8-19-17(11-15)4-3-9-20(19)13-16-5-7-18(20)12-16/h5-8,11,14,16,18H,3-4,9-10,12-13H2,1-2H3.
What are the key properties of 7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]?
7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] has a molecular weight of 266.43 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene] is sourced from PubChem (CID 173380727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).