2-methyl-1-[(3S)-3-propyloxolan-3-yl]propan-1-one

C11H20O2 — CID 176614557

IUPAC2-methyl-1-[(3S)-3-propyloxolan-3-yl]propan-1-one
SMILESCCC[C@]1(C(=O)C(C)C)CCOC1
InChIInChI=1S/C11H20O2/c1-4-5-11(6-7-13-8-11)10(12)9(2)3/h9H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyRFOXXCOPNOMYLS-NSHDSACASA-N
MW184.28 g/mol
LogP2.42
Rot. Bonds4

About 2-methyl-1-[(3S)-3-propyloxolan-3-yl]propan-1-one

2-methyl-1-[(3S)-3-propyloxolan-3-yl]propan-1-one (PubChem CID 176614557) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-1-[(3S)-3-propyloxolan-3-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(3S)-3-propyloxolan-3-yl]propan-1-one
PubChem CID176614557
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methyl-1-[(3S)-3-propyloxolan-3-yl]propan-1-one
SMILESCCC[C@]1(C(=O)C(C)C)CCOC1
InChIInChI=1S/C11H20O2/c1-4-5-11(6-7-13-8-11)10(12)9(2)3/h9H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyRFOXXCOPNOMYLS-NSHDSACASA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(hydroxymethyl)oxetan-3-yl]-2-methylpropan-1-one
CID 116922532
3-ethyloxolane-3-carboxylic acid
CID 62740785
3-dodecyloxolane-3-carboxylic acid
CID 63402957
3-[[propan-2-yl(propyl)amino]methyl]oxolane-3-carboxylic acid
CID 62272855
3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid
CID 165463327
1-[3-(hydroxymethyl)oxolan-3-yl]ethanone
CID 175513547
3-(2-ethylsulfonylethyl)oxolane-3-carboxylic acid
CID 62740969
N-(3-propyloxolan-3-yl)acetamide
CID 130634427
3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
CID 106322960
(2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one
CID 99841406
pentan-2-yl 4-(aminomethyl)oxane-4-carboxylate
CID 102982557
3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid
CID 114473272

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3S)-3-propyloxolan-3-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(3S)-3-propyloxolan-3-yl]propan-1-one (CID 176614557) is 2-methyl-1-[(3S)-3-propyloxolan-3-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(3S)-3-propyloxolan-3-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(3S)-3-propyloxolan-3-yl]propan-1-one is CCC[C@]1(C(=O)C(C)C)CCOC1.
What is the InChIKey of 2-methyl-1-[(3S)-3-propyloxolan-3-yl]propan-1-one?
The InChIKey is RFOXXCOPNOMYLS-NSHDSACASA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-11(6-7-13-8-11)10(12)9(2)3/h9H,4-8H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-methyl-1-[(3S)-3-propyloxolan-3-yl]propan-1-one?
2-methyl-1-[(3S)-3-propyloxolan-3-yl]propan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3S)-3-propyloxolan-3-yl]propan-1-one is sourced from PubChem (CID 176614557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).