2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene

C11H18O2 — CID 14832116

IUPAC2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene
SMILESCC1(C)CC=CC2(CCCCO2)O1
InChIInChI=1S/C11H18O2/c1-10(2)6-5-8-11(13-10)7-3-4-9-12-11/h5,8H,3-4,6-7,9H2,1-2H3
InChIKeyWRNWMALYFRLOEW-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.64
Rot. Bonds

About 2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene

2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene (PubChem CID 14832116) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene.

Molecular Properties

Compound Name2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene
PubChem CID14832116
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene
SMILESCC1(C)CC=CC2(CCCCO2)O1
InChIInChI=1S/C11H18O2/c1-10(2)6-5-8-11(13-10)7-3-4-9-12-11/h5,8H,3-4,6-7,9H2,1-2H3
InChIKeyWRNWMALYFRLOEW-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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 2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene?
The IUPAC name of 2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene (CID 14832116) is 2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene.
What is the SMILES notation for 2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene?
The canonical SMILES for 2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene is CC1(C)CC=CC2(CCCCO2)O1.
What is the InChIKey of 2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene?
The InChIKey is WRNWMALYFRLOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)6-5-8-11(13-10)7-3-4-9-12-11/h5,8H,3-4,6-7,9H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene?
2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene has a molecular weight of 182.26 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene is sourced from PubChem (CID 14832116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).