spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one

C15H18O — CID 54322685

IUPACspiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one
SMILESO=C1CCC2(CCCCC2)c2ccccc21
InChIInChI=1S/C15H18O/c16-14-8-11-15(9-4-1-5-10-15)13-7-3-2-6-12(13)14/h2-3,6-7H,1,4-5,8-11H2
InChIKeySSSYDULXKGVZPL-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.87
Rot. Bonds

About spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one

spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one (PubChem CID 54322685) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one.

Molecular Properties

Compound Namespiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one
PubChem CID54322685
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Namespiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one
SMILESO=C1CCC2(CCCCC2)c2ccccc21
InChIInChI=1S/C15H18O/c16-14-8-11-15(9-4-1-5-10-15)13-7-3-2-6-12(13)14/h2-3,6-7H,1,4-5,8-11H2
InChIKeySSSYDULXKGVZPL-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one?
The IUPAC name of spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one (CID 54322685) is spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one.
What is the SMILES notation for spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one?
The canonical SMILES for spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one is O=C1CCC2(CCCCC2)c2ccccc21.
What is the InChIKey of spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one?
The InChIKey is SSSYDULXKGVZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c16-14-8-11-15(9-4-1-5-10-15)13-7-3-2-6-12(13)14/h2-3,6-7H,1,4-5,8-11H2.
What are the key properties of spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one?
spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one has a molecular weight of 214.31 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one is sourced from PubChem (CID 54322685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).