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

C11H20O — CID 59326844

IUPAC7-propan-2-yl-1-oxaspiro[3.5]nonane
SMILESCC(C)C1CCC2(CCO2)CC1
InChIInChI=1S/C11H20O/c1-9(2)10-3-5-11(6-4-10)7-8-12-11/h9-10H,3-8H2,1-2H3
InChIKeyJZQHQBKUORURFF-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.99
Rot. Bonds1

About 7-propan-2-yl-1-oxaspiro[3.5]nonane

7-propan-2-yl-1-oxaspiro[3.5]nonane (PubChem CID 59326844) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 7-propan-2-yl-1-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name7-propan-2-yl-1-oxaspiro[3.5]nonane
PubChem CID59326844
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name7-propan-2-yl-1-oxaspiro[3.5]nonane
SMILESCC(C)C1CCC2(CCO2)CC1
InChIInChI=1S/C11H20O/c1-9(2)10-3-5-11(6-4-10)7-8-12-11/h9-10H,3-8H2,1-2H3
InChIKeyJZQHQBKUORURFF-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

Analyze 7-propan-2-yl-1-oxaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1-oxaspiro[3.5]nonane?
The IUPAC name of 7-propan-2-yl-1-oxaspiro[3.5]nonane (CID 59326844) is 7-propan-2-yl-1-oxaspiro[3.5]nonane.
What is the SMILES notation for 7-propan-2-yl-1-oxaspiro[3.5]nonane?
The canonical SMILES for 7-propan-2-yl-1-oxaspiro[3.5]nonane is CC(C)C1CCC2(CCO2)CC1.
What is the InChIKey of 7-propan-2-yl-1-oxaspiro[3.5]nonane?
The InChIKey is JZQHQBKUORURFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)10-3-5-11(6-4-10)7-8-12-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 7-propan-2-yl-1-oxaspiro[3.5]nonane?
7-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 7-propan-2-yl-1-oxaspiro[3.5]nonane is sourced from PubChem (CID 59326844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).