5,8-dimethoxyspiro[1H-naphthalene-4,1'-cyclobutane]

C15H18O2 — CID 118314439

IUPAC5,8-dimethoxyspiro[1H-naphthalene-4,1'-cyclobutane]
SMILESCOc1ccc(OC)c2c1CC=CC21CCC1
InChIInChI=1S/C15H18O2/c1-16-12-6-7-13(17-2)14-11(12)5-3-8-15(14)9-4-10-15/h3,6-8H,4-5,9-10H2,1-2H3
InChIKeyQFNXMLWFNXFEJY-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.24
Rot. Bonds2

About 5,8-dimethoxyspiro[1H-naphthalene-4,1'-cyclobutane]

5,8-dimethoxyspiro[1H-naphthalene-4,1'-cyclobutane] (PubChem CID 118314439) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5,8-dimethoxyspiro[1H-naphthalene-4,1'-cyclobutane].

Molecular Properties

Compound Name5,8-dimethoxyspiro[1H-naphthalene-4,1'-cyclobutane]
PubChem CID118314439
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name5,8-dimethoxyspiro[1H-naphthalene-4,1'-cyclobutane]
SMILESCOc1ccc(OC)c2c1CC=CC21CCC1
InChIInChI=1S/C15H18O2/c1-16-12-6-7-13(17-2)14-11(12)5-3-8-15(14)9-4-10-15/h3,6-8H,4-5,9-10H2,1-2H3
InChIKeyQFNXMLWFNXFEJY-UHFFFAOYSA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5,8-dimethoxyspiro[1H-naphthalene-4,1'-cyclobutane]?
The IUPAC name of 5,8-dimethoxyspiro[1H-naphthalene-4,1'-cyclobutane] (CID 118314439) is 5,8-dimethoxyspiro[1H-naphthalene-4,1'-cyclobutane].
What is the SMILES notation for 5,8-dimethoxyspiro[1H-naphthalene-4,1'-cyclobutane]?
The canonical SMILES for 5,8-dimethoxyspiro[1H-naphthalene-4,1'-cyclobutane] is COc1ccc(OC)c2c1CC=CC21CCC1.
What is the InChIKey of 5,8-dimethoxyspiro[1H-naphthalene-4,1'-cyclobutane]?
The InChIKey is QFNXMLWFNXFEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-16-12-6-7-13(17-2)14-11(12)5-3-8-15(14)9-4-10-15/h3,6-8H,4-5,9-10H2,1-2H3.
What are the key properties of 5,8-dimethoxyspiro[1H-naphthalene-4,1'-cyclobutane]?
5,8-dimethoxyspiro[1H-naphthalene-4,1'-cyclobutane] has a molecular weight of 230.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxyspiro[1H-naphthalene-4,1'-cyclobutane] is sourced from PubChem (CID 118314439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).