14-phenyl-13-oxadispiro[4.1.47.35]tetradecane-6,12-dione

C19H22O3 — CID 2941512

IUPAC14-phenyl-13-oxadispiro[4.1.47.35]tetradecane-6,12-dione
SMILESO=C1OC(c2ccccc2)C2(CCCC2)C(=O)C12CCCC2
InChIInChI=1S/C19H22O3/c20-16-18(10-4-5-11-18)15(14-8-2-1-3-9-14)22-17(21)19(16)12-6-7-13-19/h1-3,8-9,15H,4-7,10-13H2
InChIKeyOAPCIDDDYFWMLN-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.97
Rot. Bonds1

About 14-phenyl-13-oxadispiro[4.1.47.35]tetradecane-6,12-dione

14-phenyl-13-oxadispiro[4.1.47.35]tetradecane-6,12-dione (PubChem CID 2941512) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 14-phenyl-13-oxadispiro[4.1.47.35]tetradecane-6,12-dione.

Molecular Properties

Compound Name14-phenyl-13-oxadispiro[4.1.47.35]tetradecane-6,12-dione
PubChem CID2941512
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name14-phenyl-13-oxadispiro[4.1.47.35]tetradecane-6,12-dione
SMILESO=C1OC(c2ccccc2)C2(CCCC2)C(=O)C12CCCC2
InChIInChI=1S/C19H22O3/c20-16-18(10-4-5-11-18)15(14-8-2-1-3-9-14)22-17(21)19(16)12-6-7-13-19/h1-3,8-9,15H,4-7,10-13H2
InChIKeyOAPCIDDDYFWMLN-UHFFFAOYSA-N
XLogP3.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 14-phenyl-13-oxadispiro[4.1.47.35]tetradecane-6,12-dione?
The IUPAC name of 14-phenyl-13-oxadispiro[4.1.47.35]tetradecane-6,12-dione (CID 2941512) is 14-phenyl-13-oxadispiro[4.1.47.35]tetradecane-6,12-dione.
What is the SMILES notation for 14-phenyl-13-oxadispiro[4.1.47.35]tetradecane-6,12-dione?
The canonical SMILES for 14-phenyl-13-oxadispiro[4.1.47.35]tetradecane-6,12-dione is O=C1OC(c2ccccc2)C2(CCCC2)C(=O)C12CCCC2.
What is the InChIKey of 14-phenyl-13-oxadispiro[4.1.47.35]tetradecane-6,12-dione?
The InChIKey is OAPCIDDDYFWMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c20-16-18(10-4-5-11-18)15(14-8-2-1-3-9-14)22-17(21)19(16)12-6-7-13-19/h1-3,8-9,15H,4-7,10-13H2.
What are the key properties of 14-phenyl-13-oxadispiro[4.1.47.35]tetradecane-6,12-dione?
14-phenyl-13-oxadispiro[4.1.47.35]tetradecane-6,12-dione has a molecular weight of 298.38 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-13-oxadispiro[4.1.47.35]tetradecane-6,12-dione is sourced from PubChem (CID 2941512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).