1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone

C18H24O3 — CID 102846916

IUPAC1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(OCC2CCC3(CCCCC3)O2)c1
InChIInChI=1S/C18H24O3/c1-14(19)15-6-5-7-16(12-15)20-13-17-8-11-18(21-17)9-3-2-4-10-18/h5-7,12,17H,2-4,8-11,13H2,1H3
InChIKeyZEDYSXOEHYDEJT-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.15
Rot. Bonds4

About 1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone

1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone (PubChem CID 102846916) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
PubChem CID102846916
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(OCC2CCC3(CCCCC3)O2)c1
InChIInChI=1S/C18H24O3/c1-14(19)15-6-5-7-16(12-15)20-13-17-8-11-18(21-17)9-3-2-4-10-18/h5-7,12,17H,2-4,8-11,13H2,1H3
InChIKeyZEDYSXOEHYDEJT-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896207
1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
CID 102846311
2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102898159
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine
CID 102899674
N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
CID 102896328
4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one
CID 102898126
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896209
2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901507
1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
CID 102896304
[3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
CID 102898668
2-(3-acetylphenoxy)-1-cyclohexylethanone
CID 115582273

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone (CID 102846916) is 1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone is CC(=O)c1cccc(OCC2CCC3(CCCCC3)O2)c1.
What is the InChIKey of 1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone?
The InChIKey is ZEDYSXOEHYDEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-14(19)15-6-5-7-16(12-15)20-13-17-8-11-18(21-17)9-3-2-4-10-18/h5-7,12,17H,2-4,8-11,13H2,1H3.
What are the key properties of 1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone?
1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 102846916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).