3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane

C20H26O3 — CID 171358211

IUPAC3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane
SMILESC=C(c1ccc2c(c1)CCCC2)C1COC2(CCCCC2)OO1
InChIInChI=1S/C20H26O3/c1-15(17-10-9-16-7-3-4-8-18(16)13-17)19-14-21-20(23-22-19)11-5-2-6-12-20/h9-10,13,19H,1-8,11-12,14H2
InChIKeyICDHZRBKSNZQJL-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.59
Rot. Bonds2

About 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane

3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane (PubChem CID 171358211) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane.

Molecular Properties

Compound Name3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane
PubChem CID171358211
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane
SMILESC=C(c1ccc2c(c1)CCCC2)C1COC2(CCCCC2)OO1
InChIInChI=1S/C20H26O3/c1-15(17-10-9-16-7-3-4-8-18(16)13-17)19-14-21-20(23-22-19)11-5-2-6-12-20/h9-10,13,19H,1-8,11-12,14H2
InChIKeyICDHZRBKSNZQJL-UHFFFAOYSA-N
XLogP4.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.59
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 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane?
The IUPAC name of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane (CID 171358211) is 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane.
What is the SMILES notation for 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane?
The canonical SMILES for 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane is C=C(c1ccc2c(c1)CCCC2)C1COC2(CCCCC2)OO1.
What is the InChIKey of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane?
The InChIKey is ICDHZRBKSNZQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-15(17-10-9-16-7-3-4-8-18(16)13-17)19-14-21-20(23-22-19)11-5-2-6-12-20/h9-10,13,19H,1-8,11-12,14H2.
What are the key properties of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane?
3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane has a molecular weight of 314.43 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane is sourced from PubChem (CID 171358211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).