1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone

C18H24O3 — CID 102846311

IUPAC1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCC2CCC3(CCCCC3)O2)cc1
InChIInChI=1S/C18H24O3/c1-14(19)15-5-7-16(8-6-15)20-13-17-9-12-18(21-17)10-3-2-4-11-18/h5-8,17H,2-4,9-13H2,1H3
InChIKeyPIKCOLKGQPNIRF-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.15
Rot. Bonds4

About 1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone

1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone (PubChem CID 102846311) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
PubChem CID102846311
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCC2CCC3(CCCCC3)O2)cc1
InChIInChI=1S/C18H24O3/c1-14(19)15-5-7-16(8-6-15)20-13-17-9-12-18(21-17)10-3-2-4-11-18/h5-8,17H,2-4,9-13H2,1H3
InChIKeyPIKCOLKGQPNIRF-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

1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
CID 102846916
4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide
CID 102898340
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-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896207
2-[(4-butan-2-ylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 107668992
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896209
3-bromo-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)benzoic acid
CID 102898227
2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102898159
[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896068
5-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)benzoic acid
CID 102896216
5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896116

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone (CID 102846311) is 1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone is CC(=O)c1ccc(OCC2CCC3(CCCCC3)O2)cc1.
What is the InChIKey of 1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone?
The InChIKey is PIKCOLKGQPNIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-14(19)15-5-7-16(8-6-15)20-13-17-9-12-18(21-17)10-3-2-4-11-18/h5-8,17H,2-4,9-13H2,1H3.
What are the key properties of 1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone?
1-[4-(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-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 102846311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).