7-phenyl-6-phenylselanyl-1,4-dioxaspiro[4.5]decane

C20H22O2Se — CID 74034780

IUPAC7-phenyl-6-phenylselanyl-1,4-dioxaspiro[4.5]decane
SMILESc1ccc([Se]C2C(c3ccccc3)CCCC23OCCO3)cc1
InChIInChI=1S/C20H22O2Se/c1-3-8-16(9-4-1)18-12-7-13-20(21-14-15-22-20)19(18)23-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2
InChIKeyUUFVBKDHQSGAND-UHFFFAOYSA-N
MW373.35 g/mol
LogP3.52
Rot. Bonds3

About 7-phenyl-6-phenylselanyl-1,4-dioxaspiro[4.5]decane

7-phenyl-6-phenylselanyl-1,4-dioxaspiro[4.5]decane (PubChem CID 74034780) has the molecular formula C20H22O2Se and a molecular weight of 373.35 g/mol. Its IUPAC name is 7-phenyl-6-phenylselanyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name7-phenyl-6-phenylselanyl-1,4-dioxaspiro[4.5]decane
PubChem CID74034780
Molecular FormulaC20H22O2Se
Molecular Weight373.35 g/mol
Exact Mass374.08
IUPAC Name7-phenyl-6-phenylselanyl-1,4-dioxaspiro[4.5]decane
SMILESc1ccc([Se]C2C(c3ccccc3)CCCC23OCCO3)cc1
InChIInChI=1S/C20H22O2Se/c1-3-8-16(9-4-1)18-12-7-13-20(21-14-15-22-20)19(18)23-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2
InChIKeyUUFVBKDHQSGAND-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-6-phenylselanyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 7-phenyl-6-phenylselanyl-1,4-dioxaspiro[4.5]decane (CID 74034780) is 7-phenyl-6-phenylselanyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 7-phenyl-6-phenylselanyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 7-phenyl-6-phenylselanyl-1,4-dioxaspiro[4.5]decane is c1ccc([Se]C2C(c3ccccc3)CCCC23OCCO3)cc1.
What is the InChIKey of 7-phenyl-6-phenylselanyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is UUFVBKDHQSGAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2Se/c1-3-8-16(9-4-1)18-12-7-13-20(21-14-15-22-20)19(18)23-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2.
What are the key properties of 7-phenyl-6-phenylselanyl-1,4-dioxaspiro[4.5]decane?
7-phenyl-6-phenylselanyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 373.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-6-phenylselanyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 74034780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).