3-methyl-1,7-dioxaspiro[5.5]undec-2-ene

C10H16O2 — CID 52920813

IUPAC3-methyl-1,7-dioxaspiro[5.5]undec-2-ene
SMILESCC1=COC2(CCCCO2)CC1
InChIInChI=1S/C10H16O2/c1-9-4-6-10(12-8-9)5-2-3-7-11-10/h8H,2-7H2,1H3
InChIKeyQATDWUZTJOBAAV-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.60
Rot. Bonds

About 3-methyl-1,7-dioxaspiro[5.5]undec-2-ene

3-methyl-1,7-dioxaspiro[5.5]undec-2-ene (PubChem CID 52920813) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-methyl-1,7-dioxaspiro[5.5]undec-2-ene.

Molecular Properties

Compound Name3-methyl-1,7-dioxaspiro[5.5]undec-2-ene
PubChem CID52920813
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-methyl-1,7-dioxaspiro[5.5]undec-2-ene
SMILESCC1=COC2(CCCCO2)CC1
InChIInChI=1S/C10H16O2/c1-9-4-6-10(12-8-9)5-2-3-7-11-10/h8H,2-7H2,1H3
InChIKeyQATDWUZTJOBAAV-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,7-dioxaspiro[5.5]undec-2-ene?
The IUPAC name of 3-methyl-1,7-dioxaspiro[5.5]undec-2-ene (CID 52920813) is 3-methyl-1,7-dioxaspiro[5.5]undec-2-ene.
What is the SMILES notation for 3-methyl-1,7-dioxaspiro[5.5]undec-2-ene?
The canonical SMILES for 3-methyl-1,7-dioxaspiro[5.5]undec-2-ene is CC1=COC2(CCCCO2)CC1.
What is the InChIKey of 3-methyl-1,7-dioxaspiro[5.5]undec-2-ene?
The InChIKey is QATDWUZTJOBAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9-4-6-10(12-8-9)5-2-3-7-11-10/h8H,2-7H2,1H3.
What are the key properties of 3-methyl-1,7-dioxaspiro[5.5]undec-2-ene?
3-methyl-1,7-dioxaspiro[5.5]undec-2-ene has a molecular weight of 168.24 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,7-dioxaspiro[5.5]undec-2-ene is sourced from PubChem (CID 52920813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).