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

C14H16O3 — CID 134861670

IUPAC8-phenyl-1,4-dioxaspiro[4.5]decan-7-one
SMILESO=C1CC2(CCC1c1ccccc1)OCCO2
InChIInChI=1S/C14H16O3/c15-13-10-14(16-8-9-17-14)7-6-12(13)11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyOGQRAAOZZBXPNP-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.27
Rot. Bonds1

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

8-phenyl-1,4-dioxaspiro[4.5]decan-7-one (PubChem CID 134861670) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 8-phenyl-1,4-dioxaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name8-phenyl-1,4-dioxaspiro[4.5]decan-7-one
PubChem CID134861670
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name8-phenyl-1,4-dioxaspiro[4.5]decan-7-one
SMILESO=C1CC2(CCC1c1ccccc1)OCCO2
InChIInChI=1S/C14H16O3/c15-13-10-14(16-8-9-17-14)7-6-12(13)11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyOGQRAAOZZBXPNP-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
7-(4-Fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one
CID 66859400
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
8-Phenyl-1,4-dioxaspiro[4,5]decane
CID 10878623
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
methyl 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetate
CID 67511979
(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
3-(2,2-Dimethyl-1,3-dioxolan-4-yl)-1-phenylbutan-1-one
CID 172377891
8-(4-Fluorophenyl)-1,4-dioxaspiro[4,5]decane-8-carbonyl chloride
CID 20540206
1-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-one
CID 57269584

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-1,4-dioxaspiro[4.5]decan-7-one?
The IUPAC name of 8-phenyl-1,4-dioxaspiro[4.5]decan-7-one (CID 134861670) is 8-phenyl-1,4-dioxaspiro[4.5]decan-7-one.
What is the SMILES notation for 8-phenyl-1,4-dioxaspiro[4.5]decan-7-one?
The canonical SMILES for 8-phenyl-1,4-dioxaspiro[4.5]decan-7-one is O=C1CC2(CCC1c1ccccc1)OCCO2.
What is the InChIKey of 8-phenyl-1,4-dioxaspiro[4.5]decan-7-one?
The InChIKey is OGQRAAOZZBXPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-13-10-14(16-8-9-17-14)7-6-12(13)11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of 8-phenyl-1,4-dioxaspiro[4.5]decan-7-one?
8-phenyl-1,4-dioxaspiro[4.5]decan-7-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 8-phenyl-1,4-dioxaspiro[4.5]decan-7-one is sourced from PubChem (CID 134861670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).