9-methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene

C13H22O2 — CID 764102

IUPAC9-methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene
SMILESCC1=CCC2(CC1)COC(C(C)C)OC2
InChIInChI=1S/C13H22O2/c1-10(2)12-14-8-13(9-15-12)6-4-11(3)5-7-13/h4,10,12H,5-9H2,1-3H3
InChIKeyOLWQBZRVFHTCMG-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.13
Rot. Bonds1

About 9-methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene

9-methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene (PubChem CID 764102) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 9-methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name9-methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene
PubChem CID764102
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name9-methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene
SMILESCC1=CCC2(CC1)COC(C(C)C)OC2
InChIInChI=1S/C13H22O2/c1-10(2)12-14-8-13(9-15-12)6-4-11(3)5-7-13/h4,10,12H,5-9H2,1-3H3
InChIKeyOLWQBZRVFHTCMG-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.13
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-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene?
The IUPAC name of 9-methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene (CID 764102) is 9-methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene.
What is the SMILES notation for 9-methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene?
The canonical SMILES for 9-methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene is CC1=CCC2(CC1)COC(C(C)C)OC2.
What is the InChIKey of 9-methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene?
The InChIKey is OLWQBZRVFHTCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10(2)12-14-8-13(9-15-12)6-4-11(3)5-7-13/h4,10,12H,5-9H2,1-3H3.
What are the key properties of 9-methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene?
9-methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene has a molecular weight of 210.32 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene is sourced from PubChem (CID 764102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).