5-propan-2-yl-1-oxaspiro[3.5]nonane

C11H20O — CID 118613178

IUPAC5-propan-2-yl-1-oxaspiro[3.5]nonane
SMILESCC(C)C1CCCCC12CCO2
InChIInChI=1S/C11H20O/c1-9(2)10-5-3-4-6-11(10)7-8-12-11/h9-10H,3-8H2,1-2H3
InChIKeyHFZUVGBOCABKID-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.99
Rot. Bonds1

About 5-propan-2-yl-1-oxaspiro[3.5]nonane

5-propan-2-yl-1-oxaspiro[3.5]nonane (PubChem CID 118613178) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 5-propan-2-yl-1-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name5-propan-2-yl-1-oxaspiro[3.5]nonane
PubChem CID118613178
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name5-propan-2-yl-1-oxaspiro[3.5]nonane
SMILESCC(C)C1CCCCC12CCO2
InChIInChI=1S/C11H20O/c1-9(2)10-5-3-4-6-11(10)7-8-12-11/h9-10H,3-8H2,1-2H3
InChIKeyHFZUVGBOCABKID-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-oxaspiro[3.5]nonane?
The IUPAC name of 5-propan-2-yl-1-oxaspiro[3.5]nonane (CID 118613178) is 5-propan-2-yl-1-oxaspiro[3.5]nonane.
What is the SMILES notation for 5-propan-2-yl-1-oxaspiro[3.5]nonane?
The canonical SMILES for 5-propan-2-yl-1-oxaspiro[3.5]nonane is CC(C)C1CCCCC12CCO2.
What is the InChIKey of 5-propan-2-yl-1-oxaspiro[3.5]nonane?
The InChIKey is HFZUVGBOCABKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)10-5-3-4-6-11(10)7-8-12-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-propan-2-yl-1-oxaspiro[3.5]nonane?
5-propan-2-yl-1-oxaspiro[3.5]nonane has a molecular weight of 168.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-oxaspiro[3.5]nonane is sourced from PubChem (CID 118613178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).