8-(2-phenylethenylidene)-1,4-dioxaspiro[4.5]decane

C16H18O2 — CID 11322456

IUPAC8-(2-phenylethenylidene)-1,4-dioxaspiro[4.5]decane
SMILESC(=Cc1ccccc1)=C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H18O2/c1-2-4-14(5-3-1)6-7-15-8-10-16(11-9-15)17-12-13-18-16/h1-6H,8-13H2
InChIKeyQVAVHQPOAWLYFV-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.54
Rot. Bonds1

About 8-(2-phenylethenylidene)-1,4-dioxaspiro[4.5]decane

8-(2-phenylethenylidene)-1,4-dioxaspiro[4.5]decane (PubChem CID 11322456) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 8-(2-phenylethenylidene)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-phenylethenylidene)-1,4-dioxaspiro[4.5]decane
PubChem CID11322456
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name8-(2-phenylethenylidene)-1,4-dioxaspiro[4.5]decane
SMILESC(=Cc1ccccc1)=C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H18O2/c1-2-4-14(5-3-1)6-7-15-8-10-16(11-9-15)17-12-13-18-16/h1-6H,8-13H2
InChIKeyQVAVHQPOAWLYFV-UHFFFAOYSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylethenylidene)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(2-phenylethenylidene)-1,4-dioxaspiro[4.5]decane (CID 11322456) is 8-(2-phenylethenylidene)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(2-phenylethenylidene)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(2-phenylethenylidene)-1,4-dioxaspiro[4.5]decane is C(=Cc1ccccc1)=C1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2-phenylethenylidene)-1,4-dioxaspiro[4.5]decane?
The InChIKey is QVAVHQPOAWLYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-2-4-14(5-3-1)6-7-15-8-10-16(11-9-15)17-12-13-18-16/h1-6H,8-13H2.
What are the key properties of 8-(2-phenylethenylidene)-1,4-dioxaspiro[4.5]decane?
8-(2-phenylethenylidene)-1,4-dioxaspiro[4.5]decane has a molecular weight of 242.32 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylethenylidene)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 11322456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).