7-phenyl-6,10-dioxaspiro[4.5]dec-7-en-9-one

C14H14O3 — CID 3238394

IUPAC7-phenyl-6,10-dioxaspiro[4.5]dec-7-en-9-one
SMILESO=C1C=C(c2ccccc2)OC2(CCCC2)O1
InChIInChI=1S/C14H14O3/c15-13-10-12(11-6-2-1-3-7-11)16-14(17-13)8-4-5-9-14/h1-3,6-7,10H,4-5,8-9H2
InChIKeyVYSONBIBDCIMGN-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.87
Rot. Bonds1

About 7-phenyl-6,10-dioxaspiro[4.5]dec-7-en-9-one

7-phenyl-6,10-dioxaspiro[4.5]dec-7-en-9-one (PubChem CID 3238394) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 7-phenyl-6,10-dioxaspiro[4.5]dec-7-en-9-one.

Molecular Properties

Compound Name7-phenyl-6,10-dioxaspiro[4.5]dec-7-en-9-one
PubChem CID3238394
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name7-phenyl-6,10-dioxaspiro[4.5]dec-7-en-9-one
SMILESO=C1C=C(c2ccccc2)OC2(CCCC2)O1
InChIInChI=1S/C14H14O3/c15-13-10-12(11-6-2-1-3-7-11)16-14(17-13)8-4-5-9-14/h1-3,6-7,10H,4-5,8-9H2
InChIKeyVYSONBIBDCIMGN-UHFFFAOYSA-N
XLogP2.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl crotonate, (E)-
CID 5356259
2-Butenoic acid, phenylmethyl ester
CID 97885
Benzyl acrylate
CID 75617
2-Methyl-6-phenyl-4H-pyran-4-one
CID 120521
2,6-Diphenyl-4H-pyran-4-one
CID 283227
1-Phenylethenyl acetate
CID 75153
7,8-Dihydro-5,6-dehydrokawain
CID 160673
2-Butenoic acid, 3-methyl-, phenylmethyl ester
CID 162264
6-phenyl-5,6-dihydro-2H-pyran-2-one
CID 11105852
6-phenyl-2H-pyran-2-one
CID 5162569
1,3-Dioxol-2-one, 4,5-diphenyl-
CID 88835
4,6-diphenyl-2H-pyran-2-one
CID 296685

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-6,10-dioxaspiro[4.5]dec-7-en-9-one?
The IUPAC name of 7-phenyl-6,10-dioxaspiro[4.5]dec-7-en-9-one (CID 3238394) is 7-phenyl-6,10-dioxaspiro[4.5]dec-7-en-9-one.
What is the SMILES notation for 7-phenyl-6,10-dioxaspiro[4.5]dec-7-en-9-one?
The canonical SMILES for 7-phenyl-6,10-dioxaspiro[4.5]dec-7-en-9-one is O=C1C=C(c2ccccc2)OC2(CCCC2)O1.
What is the InChIKey of 7-phenyl-6,10-dioxaspiro[4.5]dec-7-en-9-one?
The InChIKey is VYSONBIBDCIMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c15-13-10-12(11-6-2-1-3-7-11)16-14(17-13)8-4-5-9-14/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 7-phenyl-6,10-dioxaspiro[4.5]dec-7-en-9-one?
7-phenyl-6,10-dioxaspiro[4.5]dec-7-en-9-one has a molecular weight of 230.26 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-6,10-dioxaspiro[4.5]dec-7-en-9-one is sourced from PubChem (CID 3238394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).