8-[(E)-1-phenylbut-1-enyl]-1,4-dioxaspiro[4.5]decan-7-one

C18H22O3 — CID 10266010

IUPAC8-[(E)-1-phenylbut-1-enyl]-1,4-dioxaspiro[4.5]decan-7-one
SMILESCC/C=C(/c1ccccc1)C1CCC2(CC1=O)OCCO2
InChIInChI=1S/C18H22O3/c1-2-6-15(14-7-4-3-5-8-14)16-9-10-18(13-17(16)19)20-11-12-21-18/h3-8,16H,2,9-13H2,1H3/b15-6-
InChIKeyINGXQFULJAYZBM-UUASQNMZSA-N
MW286.37 g/mol
LogP3.59
Rot. Bonds3

About 8-[(E)-1-phenylbut-1-enyl]-1,4-dioxaspiro[4.5]decan-7-one

8-[(E)-1-phenylbut-1-enyl]-1,4-dioxaspiro[4.5]decan-7-one (PubChem CID 10266010) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 8-[(E)-1-phenylbut-1-enyl]-1,4-dioxaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name8-[(E)-1-phenylbut-1-enyl]-1,4-dioxaspiro[4.5]decan-7-one
PubChem CID10266010
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name8-[(E)-1-phenylbut-1-enyl]-1,4-dioxaspiro[4.5]decan-7-one
SMILESCC/C=C(/c1ccccc1)C1CCC2(CC1=O)OCCO2
InChIInChI=1S/C18H22O3/c1-2-6-15(14-7-4-3-5-8-14)16-9-10-18(13-17(16)19)20-11-12-21-18/h3-8,16H,2,9-13H2,1H3/b15-6-
InChIKeyINGXQFULJAYZBM-UUASQNMZSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-Phenyl-1,4-dioxaspiro[4.5]decane-8-carbaldehyde
CID 12230275
Methyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4-(2-iodophenyl)butanoate
CID 395124
8-[4-(Trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one
CID 135086929
(1S,2S)-2-ethenyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2H-naphthalene-1-carbaldehyde
CID 11969961
(E)-6-(2-methyl-1,3-dioxolan-2-yl)-1-phenylhex-1-en-3-one
CID 11010725
2-(1,3-Dioxolan-2-yl)-1-phenylpropan-1-one
CID 10856646
2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde
CID 56954480
7-Phenyl-1,4-dioxaspiro[4.5]decan-8-one
CID 58075535
(1'S,4a'S,8a'S)-1'-methyl-4a'-phenylhexahydro-1'H-spiro[1,3-dioxolane-2,2'-naphthalen]-5'(3'H)-one
CID 118291376
ethyl (2R)-2-benzyl-3-cyclohexyl-3-oxopropanoate
CID 134946670
Methyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(2-iodophenyl)propanoate
CID 395123
4-(1,3-Dioxolan-2-yl)-1-(4-fluorophenyl)-4-methylpentan-3-one
CID 14391716

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-1-phenylbut-1-enyl]-1,4-dioxaspiro[4.5]decan-7-one?
The IUPAC name of 8-[(E)-1-phenylbut-1-enyl]-1,4-dioxaspiro[4.5]decan-7-one (CID 10266010) is 8-[(E)-1-phenylbut-1-enyl]-1,4-dioxaspiro[4.5]decan-7-one.
What is the SMILES notation for 8-[(E)-1-phenylbut-1-enyl]-1,4-dioxaspiro[4.5]decan-7-one?
The canonical SMILES for 8-[(E)-1-phenylbut-1-enyl]-1,4-dioxaspiro[4.5]decan-7-one is CC/C=C(/c1ccccc1)C1CCC2(CC1=O)OCCO2.
What is the InChIKey of 8-[(E)-1-phenylbut-1-enyl]-1,4-dioxaspiro[4.5]decan-7-one?
The InChIKey is INGXQFULJAYZBM-UUASQNMZSA-N. The full InChI is InChI=1S/C18H22O3/c1-2-6-15(14-7-4-3-5-8-14)16-9-10-18(13-17(16)19)20-11-12-21-18/h3-8,16H,2,9-13H2,1H3/b15-6-.
What are the key properties of 8-[(E)-1-phenylbut-1-enyl]-1,4-dioxaspiro[4.5]decan-7-one?
8-[(E)-1-phenylbut-1-enyl]-1,4-dioxaspiro[4.5]decan-7-one has a molecular weight of 286.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-1-phenylbut-1-enyl]-1,4-dioxaspiro[4.5]decan-7-one is sourced from PubChem (CID 10266010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).