9-methyl-2,4-dioxaspiro[5.5]undec-9-ene

C10H16O2 — CID 910051

IUPAC9-methyl-2,4-dioxaspiro[5.5]undec-9-ene
SMILESCC1=CCC2(CC1)COCOC2
InChIInChI=1S/C10H16O2/c1-9-2-4-10(5-3-9)6-11-8-12-7-10/h2H,3-8H2,1H3
InChIKeyOHUZTEHGYISAKN-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.11
Rot. Bonds

About 9-methyl-2,4-dioxaspiro[5.5]undec-9-ene

9-methyl-2,4-dioxaspiro[5.5]undec-9-ene (PubChem CID 910051) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 9-methyl-2,4-dioxaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name9-methyl-2,4-dioxaspiro[5.5]undec-9-ene
PubChem CID910051
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name9-methyl-2,4-dioxaspiro[5.5]undec-9-ene
SMILESCC1=CCC2(CC1)COCOC2
InChIInChI=1S/C10H16O2/c1-9-2-4-10(5-3-9)6-11-8-12-7-10/h2H,3-8H2,1H3
InChIKeyOHUZTEHGYISAKN-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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 9-methyl-2,4-dioxaspiro[5.5]undec-9-ene?
The IUPAC name of 9-methyl-2,4-dioxaspiro[5.5]undec-9-ene (CID 910051) is 9-methyl-2,4-dioxaspiro[5.5]undec-9-ene.
What is the SMILES notation for 9-methyl-2,4-dioxaspiro[5.5]undec-9-ene?
The canonical SMILES for 9-methyl-2,4-dioxaspiro[5.5]undec-9-ene is CC1=CCC2(CC1)COCOC2.
What is the InChIKey of 9-methyl-2,4-dioxaspiro[5.5]undec-9-ene?
The InChIKey is OHUZTEHGYISAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9-2-4-10(5-3-9)6-11-8-12-7-10/h2H,3-8H2,1H3.
What are the key properties of 9-methyl-2,4-dioxaspiro[5.5]undec-9-ene?
9-methyl-2,4-dioxaspiro[5.5]undec-9-ene has a molecular weight of 168.24 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,4-dioxaspiro[5.5]undec-9-ene is sourced from PubChem (CID 910051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).