5-(2-methylpropyl)-1-oxaspiro[2.5]octane

C11H20O — CID 107430385

IUPAC5-(2-methylpropyl)-1-oxaspiro[2.5]octane
SMILESCC(C)CC1CCCC2(CO2)C1
InChIInChI=1S/C11H20O/c1-9(2)6-10-4-3-5-11(7-10)8-12-11/h9-10H,3-8H2,1-2H3
InChIKeyITBZPNGGWGKPJW-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.99
Rot. Bonds2

About 5-(2-methylpropyl)-1-oxaspiro[2.5]octane

5-(2-methylpropyl)-1-oxaspiro[2.5]octane (PubChem CID 107430385) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name5-(2-methylpropyl)-1-oxaspiro[2.5]octane
PubChem CID107430385
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name5-(2-methylpropyl)-1-oxaspiro[2.5]octane
SMILESCC(C)CC1CCCC2(CO2)C1
InChIInChI=1S/C11H20O/c1-9(2)6-10-4-3-5-11(7-10)8-12-11/h9-10H,3-8H2,1-2H3
InChIKeyITBZPNGGWGKPJW-UHFFFAOYSA-N
XLogP2.99
TPSA12.53 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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
10-(2-methylpropyl)-N-propyl-1-oxaspiro[5.5]undecan-4-amine
CID 107430383
(4S)-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107430742
1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429492
3-(chloromethyl)-7-(2-methylpropyl)-1,4-dioxaspiro[4.5]decane
CID 107430679
1-[1-(ethylamino)ethyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429716
[7-(2-methylpropyl)spiro[2.5]octan-2-yl]methanamine
CID 107430357
2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane
CID 107430677
1-chloro-3-(2-methylpropyl)cyclohexane-1-carbonitrile
CID 107430290
1-methyl-3-(2-methylpropyl)cycloheptan-1-ol
CID 18356800
1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429945
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1-oxaspiro[2.5]octane?
The IUPAC name of 5-(2-methylpropyl)-1-oxaspiro[2.5]octane (CID 107430385) is 5-(2-methylpropyl)-1-oxaspiro[2.5]octane.
What is the SMILES notation for 5-(2-methylpropyl)-1-oxaspiro[2.5]octane?
The canonical SMILES for 5-(2-methylpropyl)-1-oxaspiro[2.5]octane is CC(C)CC1CCCC2(CO2)C1.
What is the InChIKey of 5-(2-methylpropyl)-1-oxaspiro[2.5]octane?
The InChIKey is ITBZPNGGWGKPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)6-10-4-3-5-11(7-10)8-12-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-1-oxaspiro[2.5]octane?
5-(2-methylpropyl)-1-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 5-(2-methylpropyl)-1-oxaspiro[2.5]octane is sourced from PubChem (CID 107430385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).