8-phenyl-1,4-dioxaspiro[4.5]decane

C14H18O2 — CID 10878623

IUPAC8-phenyl-1,4-dioxaspiro[4.5]decane
SMILESc1ccc(C2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C14H18O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-16-14/h1-5,13H,6-11H2
InChIKeyPSNYNMATNZGQSI-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.09
Rot. Bonds1

About 8-phenyl-1,4-dioxaspiro[4.5]decane

8-phenyl-1,4-dioxaspiro[4.5]decane (PubChem CID 10878623) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 8-phenyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-phenyl-1,4-dioxaspiro[4.5]decane
PubChem CID10878623
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name8-phenyl-1,4-dioxaspiro[4.5]decane
SMILESc1ccc(C2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C14H18O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-16-14/h1-5,13H,6-11H2
InChIKeyPSNYNMATNZGQSI-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.09
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]decane?
The IUPAC name of 8-phenyl-1,4-dioxaspiro[4.5]decane (CID 10878623) is 8-phenyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-phenyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-phenyl-1,4-dioxaspiro[4.5]decane is c1ccc(C2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-phenyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is PSNYNMATNZGQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-16-14/h1-5,13H,6-11H2.
What are the key properties of 8-phenyl-1,4-dioxaspiro[4.5]decane?
8-phenyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 218.30 g/mol, XLogP of 3.09, 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]decane is sourced from PubChem (CID 10878623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).