8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene

C14H16O2 — CID 11264398

IUPAC8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC1=C(c2ccccc2)CCC2(C1)OCCO2
InChIInChI=1S/C14H16O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-16-14/h1-6H,7-11H2
InChIKeyXACJCGDBQLDVLR-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.00
Rot. Bonds1

About 8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene

8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 11264398) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID11264398
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC1=C(c2ccccc2)CCC2(C1)OCCO2
InChIInChI=1S/C14H16O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-16-14/h1-6H,7-11H2
InChIKeyXACJCGDBQLDVLR-UHFFFAOYSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene (CID 11264398) is 8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene is C1=C(c2ccccc2)CCC2(C1)OCCO2.
What is the InChIKey of 8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is XACJCGDBQLDVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-16-14/h1-6H,7-11H2.
What are the key properties of 8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene?
8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 216.28 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 11264398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).