2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone

C16H20O2 — CID 79894255

IUPAC2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone
SMILESO=C(CC1CCOC2(CCC2)C1)c1ccccc1
InChIInChI=1S/C16H20O2/c17-15(14-5-2-1-3-6-14)11-13-7-10-18-16(12-13)8-4-9-16/h1-3,5-6,13H,4,7-12H2
InChIKeyLCJLLVCJZBFDQT-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.61
Rot. Bonds3

About 2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone

2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone (PubChem CID 79894255) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone
PubChem CID79894255
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone
SMILESO=C(CC1CCOC2(CCC2)C1)c1ccccc1
InChIInChI=1S/C16H20O2/c17-15(14-5-2-1-3-6-14)11-13-7-10-18-16(12-13)8-4-9-16/h1-3,5-6,13H,4,7-12H2
InChIKeyLCJLLVCJZBFDQT-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone
CID 79894178
2-(oxolan-3-yl)-1-phenylethanone
CID 71757170
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one
CID 79894030
2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 79899396
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79894570
(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79922324
naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79908870
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone
CID 79912329
2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde
CID 79920668
2-[9-(1-benzylpiperidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1-pyrrolidin-1-ylethanone
CID 91919408

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone?
The IUPAC name of 2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone (CID 79894255) is 2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone.
What is the SMILES notation for 2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone?
The canonical SMILES for 2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone is O=C(CC1CCOC2(CCC2)C1)c1ccccc1.
What is the InChIKey of 2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone?
The InChIKey is LCJLLVCJZBFDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c17-15(14-5-2-1-3-6-14)11-13-7-10-18-16(12-13)8-4-9-16/h1-3,5-6,13H,4,7-12H2.
What are the key properties of 2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone?
2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone has a molecular weight of 244.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone is sourced from PubChem (CID 79894255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).