8-(1-phenylethenyl)-6,7,10-trioxaspiro[4.5]decane

C15H18O3 — CID 10243646

IUPAC8-(1-phenylethenyl)-6,7,10-trioxaspiro[4.5]decane
SMILESC=C(c1ccccc1)C1COC2(CCCC2)OO1
InChIInChI=1S/C15H18O3/c1-12(13-7-3-2-4-8-13)14-11-16-15(18-17-14)9-5-6-10-15/h2-4,7-8,14H,1,5-6,9-11H2
InChIKeyIOZWAIJLDQZLLK-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.32
Rot. Bonds2

About 8-(1-phenylethenyl)-6,7,10-trioxaspiro[4.5]decane

8-(1-phenylethenyl)-6,7,10-trioxaspiro[4.5]decane (PubChem CID 10243646) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 8-(1-phenylethenyl)-6,7,10-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1-phenylethenyl)-6,7,10-trioxaspiro[4.5]decane
PubChem CID10243646
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name8-(1-phenylethenyl)-6,7,10-trioxaspiro[4.5]decane
SMILESC=C(c1ccccc1)C1COC2(CCCC2)OO1
InChIInChI=1S/C15H18O3/c1-12(13-7-3-2-4-8-13)14-11-16-15(18-17-14)9-5-6-10-15/h2-4,7-8,14H,1,5-6,9-11H2
InChIKeyIOZWAIJLDQZLLK-UHFFFAOYSA-N
XLogP3.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(1-phenylethenyl)-6,7,10-trioxaspiro[4.5]decane?
The IUPAC name of 8-(1-phenylethenyl)-6,7,10-trioxaspiro[4.5]decane (CID 10243646) is 8-(1-phenylethenyl)-6,7,10-trioxaspiro[4.5]decane.
What is the SMILES notation for 8-(1-phenylethenyl)-6,7,10-trioxaspiro[4.5]decane?
The canonical SMILES for 8-(1-phenylethenyl)-6,7,10-trioxaspiro[4.5]decane is C=C(c1ccccc1)C1COC2(CCCC2)OO1.
What is the InChIKey of 8-(1-phenylethenyl)-6,7,10-trioxaspiro[4.5]decane?
The InChIKey is IOZWAIJLDQZLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-12(13-7-3-2-4-8-13)14-11-16-15(18-17-14)9-5-6-10-15/h2-4,7-8,14H,1,5-6,9-11H2.
What are the key properties of 8-(1-phenylethenyl)-6,7,10-trioxaspiro[4.5]decane?
8-(1-phenylethenyl)-6,7,10-trioxaspiro[4.5]decane has a molecular weight of 246.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-phenylethenyl)-6,7,10-trioxaspiro[4.5]decane is sourced from PubChem (CID 10243646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).