phenyl(spiro[3.5]nonan-9-yl)methanone

C16H20O — CID 101482712

IUPACphenyl(spiro[3.5]nonan-9-yl)methanone
SMILESO=C(c1ccccc1)C1CCCCC12CCC2
InChIInChI=1S/C16H20O/c17-15(13-7-2-1-3-8-13)14-9-4-5-10-16(14)11-6-12-16/h1-3,7-8,14H,4-6,9-12H2
InChIKeyQYHJCNCJCSTYPZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.23
Rot. Bonds2

About phenyl(spiro[3.5]nonan-9-yl)methanone

phenyl(spiro[3.5]nonan-9-yl)methanone (PubChem CID 101482712) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is phenyl(spiro[3.5]nonan-9-yl)methanone.

Molecular Properties

Compound Namephenyl(spiro[3.5]nonan-9-yl)methanone
PubChem CID101482712
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Namephenyl(spiro[3.5]nonan-9-yl)methanone
SMILESO=C(c1ccccc1)C1CCCCC12CCC2
InChIInChI=1S/C16H20O/c17-15(13-7-2-1-3-8-13)14-9-4-5-10-16(14)11-6-12-16/h1-3,7-8,14H,4-6,9-12H2
InChIKeyQYHJCNCJCSTYPZ-UHFFFAOYSA-N
XLogP4.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenyl(spiro[3.5]nonan-9-yl)methanone?
The IUPAC name of phenyl(spiro[3.5]nonan-9-yl)methanone (CID 101482712) is phenyl(spiro[3.5]nonan-9-yl)methanone.
What is the SMILES notation for phenyl(spiro[3.5]nonan-9-yl)methanone?
The canonical SMILES for phenyl(spiro[3.5]nonan-9-yl)methanone is O=C(c1ccccc1)C1CCCCC12CCC2.
What is the InChIKey of phenyl(spiro[3.5]nonan-9-yl)methanone?
The InChIKey is QYHJCNCJCSTYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c17-15(13-7-2-1-3-8-13)14-9-4-5-10-16(14)11-6-12-16/h1-3,7-8,14H,4-6,9-12H2.
What are the key properties of phenyl(spiro[3.5]nonan-9-yl)methanone?
phenyl(spiro[3.5]nonan-9-yl)methanone has a molecular weight of 228.34 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(spiro[3.5]nonan-9-yl)methanone is sourced from PubChem (CID 101482712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).