7-phenyl-1,4-dioxaspiro[4.5]decan-8-one

C14H16O3 — CID 58075535

IUPAC7-phenyl-1,4-dioxaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CC1c1ccccc1)OCCO2
InChIInChI=1S/C14H16O3/c15-13-6-7-14(16-8-9-17-14)10-12(13)11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyCTWUYMLCIXRCHN-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.27
Rot. Bonds1

About 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one

7-phenyl-1,4-dioxaspiro[4.5]decan-8-one (PubChem CID 58075535) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name7-phenyl-1,4-dioxaspiro[4.5]decan-8-one
PubChem CID58075535
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name7-phenyl-1,4-dioxaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CC1c1ccccc1)OCCO2
InChIInChI=1S/C14H16O3/c15-13-6-7-14(16-8-9-17-14)10-12(13)11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyCTWUYMLCIXRCHN-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.27
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
(3R,4R)-3,4-dibenzyloxolan-2-one
CID 11448508
(3aR,4S,7aS)-4-phenyl-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 90678135
(3aS,7S,7aR)-7-phenyl-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 90678138
(3aS,7S,7aS)-7-phenyl-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 90678142
Aspergilfuranone A
CID 170990000
7-(4-Fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one
CID 66859400
2,3-Dibenzylbutyrolactone
CID 14546897
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
3-(2-Methyl-1-phenylpropyl)oxolan-2-one
CID 14967532

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one?
The IUPAC name of 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one (CID 58075535) is 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one.
What is the SMILES notation for 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one?
The canonical SMILES for 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one is O=C1CCC2(CC1c1ccccc1)OCCO2.
What is the InChIKey of 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one?
The InChIKey is CTWUYMLCIXRCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-13-6-7-14(16-8-9-17-14)10-12(13)11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one?
7-phenyl-1,4-dioxaspiro[4.5]decan-8-one has a molecular weight of 232.28 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1,4-dioxaspiro[4.5]decan-8-one is sourced from PubChem (CID 58075535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).