4,8-dimethyl-11-propan-2-yl-1-oxaspiro[5.5]undec-4-ene

C15H26O — CID 21452018

IUPAC4,8-dimethyl-11-propan-2-yl-1-oxaspiro[5.5]undec-4-ene
SMILESCC1=CC2(CC(C)CCC2C(C)C)OCC1
InChIInChI=1S/C15H26O/c1-11(2)14-6-5-12(3)9-15(14)10-13(4)7-8-16-15/h10-12,14H,5-9H2,1-4H3
InChIKeyAQPUTSHVELEARO-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.18
Rot. Bonds1

About 4,8-dimethyl-11-propan-2-yl-1-oxaspiro[5.5]undec-4-ene

4,8-dimethyl-11-propan-2-yl-1-oxaspiro[5.5]undec-4-ene (PubChem CID 21452018) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 4,8-dimethyl-11-propan-2-yl-1-oxaspiro[5.5]undec-4-ene.

Molecular Properties

Compound Name4,8-dimethyl-11-propan-2-yl-1-oxaspiro[5.5]undec-4-ene
PubChem CID21452018
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name4,8-dimethyl-11-propan-2-yl-1-oxaspiro[5.5]undec-4-ene
SMILESCC1=CC2(CC(C)CCC2C(C)C)OCC1
InChIInChI=1S/C15H26O/c1-11(2)14-6-5-12(3)9-15(14)10-13(4)7-8-16-15/h10-12,14H,5-9H2,1-4H3
InChIKeyAQPUTSHVELEARO-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4,8-dimethyl-11-propan-2-yl-1-oxaspiro[5.5]undec-4-ene?
The IUPAC name of 4,8-dimethyl-11-propan-2-yl-1-oxaspiro[5.5]undec-4-ene (CID 21452018) is 4,8-dimethyl-11-propan-2-yl-1-oxaspiro[5.5]undec-4-ene.
What is the SMILES notation for 4,8-dimethyl-11-propan-2-yl-1-oxaspiro[5.5]undec-4-ene?
The canonical SMILES for 4,8-dimethyl-11-propan-2-yl-1-oxaspiro[5.5]undec-4-ene is CC1=CC2(CC(C)CCC2C(C)C)OCC1.
What is the InChIKey of 4,8-dimethyl-11-propan-2-yl-1-oxaspiro[5.5]undec-4-ene?
The InChIKey is AQPUTSHVELEARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11(2)14-6-5-12(3)9-15(14)10-13(4)7-8-16-15/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 4,8-dimethyl-11-propan-2-yl-1-oxaspiro[5.5]undec-4-ene?
4,8-dimethyl-11-propan-2-yl-1-oxaspiro[5.5]undec-4-ene has a molecular weight of 222.37 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-11-propan-2-yl-1-oxaspiro[5.5]undec-4-ene is sourced from PubChem (CID 21452018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).