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

C16H20O2 — CID 46196789

IUPAC8-(2-phenylethylidene)-1,4-dioxaspiro[4.5]decane
SMILESC(Cc1ccccc1)=C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H20O2/c1-2-4-14(5-3-1)6-7-15-8-10-16(11-9-15)17-12-13-18-16/h1-5,7H,6,8-13H2
InChIKeyKXWGAKXQWDOBOS-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.47
Rot. Bonds2

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

8-(2-phenylethylidene)-1,4-dioxaspiro[4.5]decane (PubChem CID 46196789) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 8-(2-phenylethylidene)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-phenylethylidene)-1,4-dioxaspiro[4.5]decane
PubChem CID46196789
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name8-(2-phenylethylidene)-1,4-dioxaspiro[4.5]decane
SMILESC(Cc1ccccc1)=C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H20O2/c1-2-4-14(5-3-1)6-7-15-8-10-16(11-9-15)17-12-13-18-16/h1-5,7H,6,8-13H2
InChIKeyKXWGAKXQWDOBOS-UHFFFAOYSA-N
XLogP3.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylethylidene)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(2-phenylethylidene)-1,4-dioxaspiro[4.5]decane (CID 46196789) is 8-(2-phenylethylidene)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(2-phenylethylidene)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(2-phenylethylidene)-1,4-dioxaspiro[4.5]decane is C(Cc1ccccc1)=C1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2-phenylethylidene)-1,4-dioxaspiro[4.5]decane?
The InChIKey is KXWGAKXQWDOBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-2-4-14(5-3-1)6-7-15-8-10-16(11-9-15)17-12-13-18-16/h1-5,7H,6,8-13H2.
What are the key properties of 8-(2-phenylethylidene)-1,4-dioxaspiro[4.5]decane?
8-(2-phenylethylidene)-1,4-dioxaspiro[4.5]decane has a molecular weight of 244.33 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylethylidene)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 46196789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).