1-(2,5-dimethyloxolan-3-yl)butan-1-one

C10H18O2 — CID 130785463

IUPAC1-(2,5-dimethyloxolan-3-yl)butan-1-one
SMILESCCCC(=O)C1CC(C)OC1C
InChIInChI=1S/C10H18O2/c1-4-5-10(11)9-6-7(2)12-8(9)3/h7-9H,4-6H2,1-3H3
InChIKeyZYKOOVUPAVATCN-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds3

About 1-(2,5-dimethyloxolan-3-yl)butan-1-one

1-(2,5-dimethyloxolan-3-yl)butan-1-one (PubChem CID 130785463) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(2,5-dimethyloxolan-3-yl)butan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethyloxolan-3-yl)butan-1-one
PubChem CID130785463
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(2,5-dimethyloxolan-3-yl)butan-1-one
SMILESCCCC(=O)C1CC(C)OC1C
InChIInChI=1S/C10H18O2/c1-4-5-10(11)9-6-7(2)12-8(9)3/h7-9H,4-6H2,1-3H3
InChIKeyZYKOOVUPAVATCN-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylcyclobutyl)butan-1-one
CID 131107277
methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate
CID 121226767
[(1R,2R)-2-butanoylcyclopropyl]-trifluoroboranuide
CID 176722661
1-[(1S,2S)-2-(2-hydroxypropan-2-yl)cyclopropyl]butan-1-one
CID 53388736
trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate
CID 122666743
1-(2-methylcyclopropyl)hexan-1-one
CID 65420379
1-[(1R,2R)-2-methylcyclopropyl]dodecan-1-one
CID 134964567
1-(4-butanoylcyclohexyl)butan-1-one
CID 21294983
5-methyloxolane-2,3-dicarboxylic acid
CID 70497791
butanoic acid;2-methyloxirane
CID 159918705
1-[(1S,2R)-2-aminocyclopentyl]butan-1-one
CID 178190862
1-(3-aminocyclobutyl)butan-1-one
CID 116917645

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyloxolan-3-yl)butan-1-one?
The IUPAC name of 1-(2,5-dimethyloxolan-3-yl)butan-1-one (CID 130785463) is 1-(2,5-dimethyloxolan-3-yl)butan-1-one.
What is the SMILES notation for 1-(2,5-dimethyloxolan-3-yl)butan-1-one?
The canonical SMILES for 1-(2,5-dimethyloxolan-3-yl)butan-1-one is CCCC(=O)C1CC(C)OC1C.
What is the InChIKey of 1-(2,5-dimethyloxolan-3-yl)butan-1-one?
The InChIKey is ZYKOOVUPAVATCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-10(11)9-6-7(2)12-8(9)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-(2,5-dimethyloxolan-3-yl)butan-1-one?
1-(2,5-dimethyloxolan-3-yl)butan-1-one has a molecular weight of 170.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyloxolan-3-yl)butan-1-one is sourced from PubChem (CID 130785463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).