7-ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene

C11H16O2 — CID 13023903

IUPAC7-ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC=CC1=C(C)CCC2(C1)OCCO2
InChIInChI=1S/C11H16O2/c1-3-10-8-11(5-4-9(10)2)12-6-7-13-11/h3H,1,4-8H2,2H3
InChIKeyANKSLSQMQWOEPI-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.42
Rot. Bonds1

About 7-ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene

7-ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 13023903) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 7-ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name7-ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID13023903
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name7-ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC=CC1=C(C)CCC2(C1)OCCO2
InChIInChI=1S/C11H16O2/c1-3-10-8-11(5-4-9(10)2)12-6-7-13-11/h3H,1,4-8H2,2H3
InChIKeyANKSLSQMQWOEPI-UHFFFAOYSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 7-ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene (CID 13023903) is 7-ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 7-ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 7-ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene is C=CC1=C(C)CCC2(C1)OCCO2.
What is the InChIKey of 7-ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is ANKSLSQMQWOEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-10-8-11(5-4-9(10)2)12-6-7-13-11/h3H,1,4-8H2,2H3.
What are the key properties of 7-ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
7-ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 180.25 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 13023903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).