4-methyl-1-(2-methyloxolan-3-yl)pentan-1-one

C11H20O2 — CID 114966793

IUPAC4-methyl-1-(2-methyloxolan-3-yl)pentan-1-one
SMILESCC(C)CCC(=O)C1CCOC1C
InChIInChI=1S/C11H20O2/c1-8(2)4-5-11(12)10-6-7-13-9(10)3/h8-10H,4-7H2,1-3H3
InChIKeyOYHMQQHPDSMDCP-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.42
Rot. Bonds4

About 4-methyl-1-(2-methyloxolan-3-yl)pentan-1-one

4-methyl-1-(2-methyloxolan-3-yl)pentan-1-one (PubChem CID 114966793) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-methyl-1-(2-methyloxolan-3-yl)pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-(2-methyloxolan-3-yl)pentan-1-one
PubChem CID114966793
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-methyl-1-(2-methyloxolan-3-yl)pentan-1-one
SMILESCC(C)CCC(=O)C1CCOC1C
InChIInChI=1S/C11H20O2/c1-8(2)4-5-11(12)10-6-7-13-9(10)3/h8-10H,4-7H2,1-3H3
InChIKeyOYHMQQHPDSMDCP-UHFFFAOYSA-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

3-methyl-1-(2-methyloxolan-3-yl)hexan-1-one
CID 114968800
4-methyl-1-(2-methylcyclopropyl)pentan-1-one
CID 65421248
1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone
CID 79760065
(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one
CID 130647263
1-[(2S,3R)-2-methyloxolan-3-yl]ethanone
CID 102014015
1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968400
4-methyl-1-(oxolan-3-yl)pentan-1-one
CID 63563225
1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975728
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
methyl 2-methyl-3-[methyl-(2-methyloxolane-3-carbonyl)amino]propanoate
CID 79763237
N-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 82726185

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methyloxolan-3-yl)pentan-1-one?
The IUPAC name of 4-methyl-1-(2-methyloxolan-3-yl)pentan-1-one (CID 114966793) is 4-methyl-1-(2-methyloxolan-3-yl)pentan-1-one.
What is the SMILES notation for 4-methyl-1-(2-methyloxolan-3-yl)pentan-1-one?
The canonical SMILES for 4-methyl-1-(2-methyloxolan-3-yl)pentan-1-one is CC(C)CCC(=O)C1CCOC1C.
What is the InChIKey of 4-methyl-1-(2-methyloxolan-3-yl)pentan-1-one?
The InChIKey is OYHMQQHPDSMDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)4-5-11(12)10-6-7-13-9(10)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methyloxolan-3-yl)pentan-1-one?
4-methyl-1-(2-methyloxolan-3-yl)pentan-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 4-methyl-1-(2-methyloxolan-3-yl)pentan-1-one is sourced from PubChem (CID 114966793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).