8-methylidene-2-phenyl-6-oxaspiro[3.4]octan-5-one

C14H14O2 — CID 56930378

IUPAC8-methylidene-2-phenyl-6-oxaspiro[3.4]octan-5-one
SMILESC=C1COC(=O)C12CC(c1ccccc1)C2
InChIInChI=1S/C14H14O2/c1-10-9-16-13(15)14(10)7-12(8-14)11-5-3-2-4-6-11/h2-6,12H,1,7-9H2
InChIKeyOYDVNQHRFBLODN-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.66
Rot. Bonds1

About 8-methylidene-2-phenyl-6-oxaspiro[3.4]octan-5-one

8-methylidene-2-phenyl-6-oxaspiro[3.4]octan-5-one (PubChem CID 56930378) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 8-methylidene-2-phenyl-6-oxaspiro[3.4]octan-5-one.

Molecular Properties

Compound Name8-methylidene-2-phenyl-6-oxaspiro[3.4]octan-5-one
PubChem CID56930378
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name8-methylidene-2-phenyl-6-oxaspiro[3.4]octan-5-one
SMILESC=C1COC(=O)C12CC(c1ccccc1)C2
InChIInChI=1S/C14H14O2/c1-10-9-16-13(15)14(10)7-12(8-14)11-5-3-2-4-6-11/h2-6,12H,1,7-9H2
InChIKeyOYDVNQHRFBLODN-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R,8S)-4-methylidene-8-phenyl-2-oxaspiro[4.6]undecan-1-one
CID 56930375
4-methylidene-8-(3-methylphenyl)-2-oxaspiro[4.5]decan-1-one
CID 56930229
2-methylidene-5-phenylcyclohexane-1,3-dione
CID 54567672
(6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione
CID 139042269
2-phenyl-5,7-diazaspiro[3.4]octan-6-one
CID 153298237
(1R,3R,5S)-7-methylidene-1,3,5-triphenyl-6,8-dioxabicyclo[3.2.1]octane
CID 71725837
(4S)-4-phenyloxolane-2,3-dione
CID 129383036
2,2,6,6-tetramethyl-4-phenylpiperidine
CID 11481361
(2S,3S)-2-phenyl-5-oxaspiro[2.5]oct-7-en-4-one
CID 102153001
benzene;cyclopropylbenzene
CID 144638417
5-phenyloxocane-2,8-dione
CID 83888033
4-methylidene-2-phenyloxolane
CID 11084168

Frequently Asked Questions

What is the IUPAC name of 8-methylidene-2-phenyl-6-oxaspiro[3.4]octan-5-one?
The IUPAC name of 8-methylidene-2-phenyl-6-oxaspiro[3.4]octan-5-one (CID 56930378) is 8-methylidene-2-phenyl-6-oxaspiro[3.4]octan-5-one.
What is the SMILES notation for 8-methylidene-2-phenyl-6-oxaspiro[3.4]octan-5-one?
The canonical SMILES for 8-methylidene-2-phenyl-6-oxaspiro[3.4]octan-5-one is C=C1COC(=O)C12CC(c1ccccc1)C2.
What is the InChIKey of 8-methylidene-2-phenyl-6-oxaspiro[3.4]octan-5-one?
The InChIKey is OYDVNQHRFBLODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-10-9-16-13(15)14(10)7-12(8-14)11-5-3-2-4-6-11/h2-6,12H,1,7-9H2.
What are the key properties of 8-methylidene-2-phenyl-6-oxaspiro[3.4]octan-5-one?
8-methylidene-2-phenyl-6-oxaspiro[3.4]octan-5-one has a molecular weight of 214.26 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylidene-2-phenyl-6-oxaspiro[3.4]octan-5-one is sourced from PubChem (CID 56930378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).