3,9-dimethyl-2,4-dioxaspiro[5.5]undec-9-ene

C11H18O2 — CID 5244370

IUPAC3,9-dimethyl-2,4-dioxaspiro[5.5]undec-9-ene
SMILESCC1=CCC2(CC1)COC(C)OC2
InChIInChI=1S/C11H18O2/c1-9-3-5-11(6-4-9)7-12-10(2)13-8-11/h3,10H,4-8H2,1-2H3
InChIKeySQSXUNXZNYMMBB-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.50
Rot. Bonds

About 3,9-dimethyl-2,4-dioxaspiro[5.5]undec-9-ene

3,9-dimethyl-2,4-dioxaspiro[5.5]undec-9-ene (PubChem CID 5244370) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3,9-dimethyl-2,4-dioxaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name3,9-dimethyl-2,4-dioxaspiro[5.5]undec-9-ene
PubChem CID5244370
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3,9-dimethyl-2,4-dioxaspiro[5.5]undec-9-ene
SMILESCC1=CCC2(CC1)COC(C)OC2
InChIInChI=1S/C11H18O2/c1-9-3-5-11(6-4-9)7-12-10(2)13-8-11/h3,10H,4-8H2,1-2H3
InChIKeySQSXUNXZNYMMBB-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.50
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 3,9-dimethyl-2,4-dioxaspiro[5.5]undec-9-ene?
The IUPAC name of 3,9-dimethyl-2,4-dioxaspiro[5.5]undec-9-ene (CID 5244370) is 3,9-dimethyl-2,4-dioxaspiro[5.5]undec-9-ene.
What is the SMILES notation for 3,9-dimethyl-2,4-dioxaspiro[5.5]undec-9-ene?
The canonical SMILES for 3,9-dimethyl-2,4-dioxaspiro[5.5]undec-9-ene is CC1=CCC2(CC1)COC(C)OC2.
What is the InChIKey of 3,9-dimethyl-2,4-dioxaspiro[5.5]undec-9-ene?
The InChIKey is SQSXUNXZNYMMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-3-5-11(6-4-9)7-12-10(2)13-8-11/h3,10H,4-8H2,1-2H3.
What are the key properties of 3,9-dimethyl-2,4-dioxaspiro[5.5]undec-9-ene?
3,9-dimethyl-2,4-dioxaspiro[5.5]undec-9-ene has a molecular weight of 182.26 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-2,4-dioxaspiro[5.5]undec-9-ene is sourced from PubChem (CID 5244370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).