2,4-dimethyl-1-oxaspiro[2.5]octane

C9H16O — CID 45120446

IUPAC2,4-dimethyl-1-oxaspiro[2.5]octane
SMILESCC1CCCCC12OC2C
InChIInChI=1S/C9H16O/c1-7-5-3-4-6-9(7)8(2)10-9/h7-8H,3-6H2,1-2H3
InChIKeyZNCBSKPVAIPBRN-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.35
Rot. Bonds

About 2,4-dimethyl-1-oxaspiro[2.5]octane

2,4-dimethyl-1-oxaspiro[2.5]octane (PubChem CID 45120446) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,4-dimethyl-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name2,4-dimethyl-1-oxaspiro[2.5]octane
PubChem CID45120446
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2,4-dimethyl-1-oxaspiro[2.5]octane
SMILESCC1CCCCC12OC2C
InChIInChI=1S/C9H16O/c1-7-5-3-4-6-9(7)8(2)10-9/h7-8H,3-6H2,1-2H3
InChIKeyZNCBSKPVAIPBRN-UHFFFAOYSA-N
XLogP2.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.35
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

2-methyl-14-oxatricyclo[6.5.1.01,10]tetradecane
CID 123357788
4-methyl-1,2-dioxaspiro[2.5]octane
CID 15728156
ethyl (2R,3S,4R)-4-methyl-1-oxaspiro[2.5]octane-2-carboxylate
CID 124709124
(9R)-9-methylspiro[3.5]nonane
CID 140885739
2,6-dimethyl-1-oxaspiro[4.5]decan-4-one
CID 24974113
4-methyl-2-[(2S,3R,4S)-4-methyl-1-oxaspiro[2.5]octan-2-yl]-1,3-thiazole
CID 57353874
1,1-difluoro-2-methylcyclohexane
CID 15044189
1,1,2-trimethylcycloundecane
CID 544748
3,3-dimethyl-2,3a,4,5,6,7-hexahydro-1aH-phosphindolo[3,3a-b]oxiren-3-ium
CID 6333537
(6R)-11-methyl-1-azaspiro[5.5]undecane
CID 121388678
2-methyloxirane;1,1,2-trimethylcyclohexane
CID 20977929
1,1-dibromo-2-methylcycloheptane
CID 70854356

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-oxaspiro[2.5]octane?
The IUPAC name of 2,4-dimethyl-1-oxaspiro[2.5]octane (CID 45120446) is 2,4-dimethyl-1-oxaspiro[2.5]octane.
What is the SMILES notation for 2,4-dimethyl-1-oxaspiro[2.5]octane?
The canonical SMILES for 2,4-dimethyl-1-oxaspiro[2.5]octane is CC1CCCCC12OC2C.
What is the InChIKey of 2,4-dimethyl-1-oxaspiro[2.5]octane?
The InChIKey is ZNCBSKPVAIPBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-5-3-4-6-9(7)8(2)10-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,4-dimethyl-1-oxaspiro[2.5]octane?
2,4-dimethyl-1-oxaspiro[2.5]octane has a molecular weight of 140.23 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-oxaspiro[2.5]octane is sourced from PubChem (CID 45120446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).