9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene

C14H24O2 — CID 3540232

IUPAC9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene
SMILESCC1=CCC2(COC(C(C)C)OC2)C(C)C1
InChIInChI=1S/C14H24O2/c1-10(2)13-15-8-14(9-16-13)6-5-11(3)7-12(14)4/h5,10,12-13H,6-9H2,1-4H3
InChIKeyZBZWIPSRQJXTNJ-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.38
Rot. Bonds1

About 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene

9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene (PubChem CID 3540232) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene.

Molecular Properties

Compound Name9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene
PubChem CID3540232
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene
SMILESCC1=CCC2(COC(C(C)C)OC2)C(C)C1
InChIInChI=1S/C14H24O2/c1-10(2)13-15-8-14(9-16-13)6-5-11(3)7-12(14)4/h5,10,12-13H,6-9H2,1-4H3
InChIKeyZBZWIPSRQJXTNJ-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.38
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 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene?
The IUPAC name of 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene (CID 3540232) is 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene.
What is the SMILES notation for 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene?
The canonical SMILES for 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene is CC1=CCC2(COC(C(C)C)OC2)C(C)C1.
What is the InChIKey of 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene?
The InChIKey is ZBZWIPSRQJXTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)13-15-8-14(9-16-13)6-5-11(3)7-12(14)4/h5,10,12-13H,6-9H2,1-4H3.
What are the key properties of 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene?
9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene has a molecular weight of 224.34 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene is sourced from PubChem (CID 3540232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).