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

C17H20 — CID 173380628

IUPAC7-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]
SMILESCc1ccc2c(c1)CCC1(C2)CC2C=CC1C2
InChIInChI=1S/C17H20/c1-12-2-4-15-11-17(7-6-14(15)8-12)10-13-3-5-16(17)9-13/h2-5,8,13,16H,6-7,9-11H2,1H3
InChIKeyCURDIPSPPBCRJR-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.07
Rot. Bonds

About 7-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]

7-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene] (PubChem CID 173380628) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 7-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene].

Molecular Properties

Compound Name7-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]
PubChem CID173380628
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name7-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]
SMILESCc1ccc2c(c1)CCC1(C2)CC2C=CC1C2
InChIInChI=1S/C17H20/c1-12-2-4-15-11-17(7-6-14(15)8-12)10-13-3-5-16(17)9-13/h2-5,8,13,16H,6-7,9-11H2,1H3
InChIKeyCURDIPSPPBCRJR-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.07
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-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]?
The IUPAC name of 7-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene] (CID 173380628) is 7-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene].
What is the SMILES notation for 7-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]?
The canonical SMILES for 7-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene] is Cc1ccc2c(c1)CCC1(C2)CC2C=CC1C2.
What is the InChIKey of 7-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]?
The InChIKey is CURDIPSPPBCRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-12-2-4-15-11-17(7-6-14(15)8-12)10-13-3-5-16(17)9-13/h2-5,8,13,16H,6-7,9-11H2,1H3.
What are the key properties of 7-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]?
7-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene] has a molecular weight of 224.35 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene] is sourced from PubChem (CID 173380628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).