2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one

C18H24O2 — CID 102898959

IUPAC2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one
SMILESCC(CC1CCC2(CCCC2)O1)C(=O)c1ccccc1
InChIInChI=1S/C18H24O2/c1-14(17(19)15-7-3-2-4-8-15)13-16-9-12-18(20-16)10-5-6-11-18/h2-4,7-8,14,16H,5-6,9-13H2,1H3
InChIKeyWYAPJQVSLWGKOG-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.39
Rot. Bonds4

About 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one

2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one (PubChem CID 102898959) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one
PubChem CID102898959
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one
SMILESCC(CC1CCC2(CCCC2)O1)C(=O)c1ccccc1
InChIInChI=1S/C18H24O2/c1-14(17(19)15-7-3-2-4-8-15)13-16-9-12-18(20-16)10-5-6-11-18/h2-4,7-8,14,16H,5-6,9-13H2,1H3
InChIKeyWYAPJQVSLWGKOG-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one
CID 102898916
2-(3-bromo-2-methyl-3-phenylpropyl)-1-oxaspiro[4.5]decane
CID 102899979
4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid
CID 102899293
2-(3-methylphenyl)-3-(1-oxaspiro[4.4]nonan-2-yl)propanoic acid
CID 102899325
(2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid
CID 106702778
2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine
CID 102900183
2-(1-oxaspiro[4.5]decan-2-ylmethylsulfanyl)benzoic acid
CID 102896253
1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
CID 102898614
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896209
2-(2-benzyl-3-bromopropyl)-1-oxaspiro[4.5]decane
CID 102902178
3-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896207
(2S)-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)propanoic acid
CID 102896242

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one?
The IUPAC name of 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one (CID 102898959) is 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one?
The canonical SMILES for 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one is CC(CC1CCC2(CCCC2)O1)C(=O)c1ccccc1.
What is the InChIKey of 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one?
The InChIKey is WYAPJQVSLWGKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-14(17(19)15-7-3-2-4-8-15)13-16-9-12-18(20-16)10-5-6-11-18/h2-4,7-8,14,16H,5-6,9-13H2,1H3.
What are the key properties of 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one?
2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one has a molecular weight of 272.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 102898959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).