2-propan-2-yl-6-oxaspiro[3.5]nonane

C11H20O — CID 118613041

IUPAC2-propan-2-yl-6-oxaspiro[3.5]nonane
SMILESCC(C)C1CC2(CCCOC2)C1
InChIInChI=1S/C11H20O/c1-9(2)10-6-11(7-10)4-3-5-12-8-11/h9-10H,3-8H2,1-2H3
InChIKeyHNHLBAQJDACLHM-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.85
Rot. Bonds1

About 2-propan-2-yl-6-oxaspiro[3.5]nonane

2-propan-2-yl-6-oxaspiro[3.5]nonane (PubChem CID 118613041) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-propan-2-yl-6-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name2-propan-2-yl-6-oxaspiro[3.5]nonane
PubChem CID118613041
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-propan-2-yl-6-oxaspiro[3.5]nonane
SMILESCC(C)C1CC2(CCCOC2)C1
InChIInChI=1S/C11H20O/c1-9(2)10-6-11(7-10)4-3-5-12-8-11/h9-10H,3-8H2,1-2H3
InChIKeyHNHLBAQJDACLHM-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-propan-2-yl-8-oxaspiro[5.6]dodecane
CID 176804271
6-oxaspiro[3.5]nonane-2-carbonitrile
CID 56962162
6-propan-2-yl-2-oxaspiro[3.3]heptane;6-propan-2-yl-2-thiaspiro[3.3]heptane
CID 161491429
2,9-dioxaspiro[4.6]undecane
CID 118210519
ethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane
CID 176693659
2,8-di(propan-2-yl)-8-azaspiro[3.6]decane
CID 170522762
8-oxa-2λ4-thiaspiro[3.5]nonane 2-oxide
CID 118609064
7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 89399793
6-[2-(6-oxa-2-azaspiro[3.5]nonan-2-yl)propyl]-2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane
CID 146386649
(8R)-6-methyl-8-propan-2-yl-6-azaspiro[3.5]nonane
CID 129290560
2,6,10,13,17-pentaoxadispiro[3.3.38.74]octadecane
CID 71344408
7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 155006151

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-oxaspiro[3.5]nonane?
The IUPAC name of 2-propan-2-yl-6-oxaspiro[3.5]nonane (CID 118613041) is 2-propan-2-yl-6-oxaspiro[3.5]nonane.
What is the SMILES notation for 2-propan-2-yl-6-oxaspiro[3.5]nonane?
The canonical SMILES for 2-propan-2-yl-6-oxaspiro[3.5]nonane is CC(C)C1CC2(CCCOC2)C1.
What is the InChIKey of 2-propan-2-yl-6-oxaspiro[3.5]nonane?
The InChIKey is HNHLBAQJDACLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)10-6-11(7-10)4-3-5-12-8-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-6-oxaspiro[3.5]nonane?
2-propan-2-yl-6-oxaspiro[3.5]nonane has a molecular weight of 168.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-oxaspiro[3.5]nonane is sourced from PubChem (CID 118613041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).