7-butan-2-yl-4-oxaspiro[2.5]octane

C11H20O — CID 170965398

IUPAC7-butan-2-yl-4-oxaspiro[2.5]octane
SMILESCCC(C)C1CCOC2(CC2)C1
InChIInChI=1S/C11H20O/c1-3-9(2)10-4-7-12-11(8-10)5-6-11/h9-10H,3-8H2,1-2H3
InChIKeyIOONURGDSAQMTG-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.99
Rot. Bonds2

About 7-butan-2-yl-4-oxaspiro[2.5]octane

7-butan-2-yl-4-oxaspiro[2.5]octane (PubChem CID 170965398) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 7-butan-2-yl-4-oxaspiro[2.5]octane.

Molecular Properties

Compound Name7-butan-2-yl-4-oxaspiro[2.5]octane
PubChem CID170965398
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name7-butan-2-yl-4-oxaspiro[2.5]octane
SMILESCCC(C)C1CCOC2(CC2)C1
InChIInChI=1S/C11H20O/c1-3-9(2)10-4-7-12-11(8-10)5-6-11/h9-10H,3-8H2,1-2H3
InChIKeyIOONURGDSAQMTG-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 81020446
1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
CID 103454715
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol
CID 115820832
N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine
CID 79923393
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578
2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one
CID 79894342
(7S)-7-methyl-4-oxaspiro[2.5]octane
CID 139336511
(3S)-3-butan-2-yloxolane;ethane;4-methyloxane;(4R)-2,2,4-trimethyloxane
CID 169190720
N,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914209
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol
CID 79913855
3-butan-2-yloxolane;ethane
CID 143988733
3-butan-2-yl-1,5,9-trioxaspiro[5.5]undecane
CID 70895234

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-4-oxaspiro[2.5]octane?
The IUPAC name of 7-butan-2-yl-4-oxaspiro[2.5]octane (CID 170965398) is 7-butan-2-yl-4-oxaspiro[2.5]octane.
What is the SMILES notation for 7-butan-2-yl-4-oxaspiro[2.5]octane?
The canonical SMILES for 7-butan-2-yl-4-oxaspiro[2.5]octane is CCC(C)C1CCOC2(CC2)C1.
What is the InChIKey of 7-butan-2-yl-4-oxaspiro[2.5]octane?
The InChIKey is IOONURGDSAQMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-9(2)10-4-7-12-11(8-10)5-6-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 7-butan-2-yl-4-oxaspiro[2.5]octane?
7-butan-2-yl-4-oxaspiro[2.5]octane has a molecular weight of 168.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-4-oxaspiro[2.5]octane is sourced from PubChem (CID 170965398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).