6-methyl-2-(2-methylpropyl)-2,3-dihydropyran-4-one

C10H16O2 — CID 14089578

IUPAC6-methyl-2-(2-methylpropyl)-2,3-dihydropyran-4-one
SMILESCC1=CC(=O)CC(CC(C)C)O1
InChIInChI=1S/C10H16O2/c1-7(2)4-10-6-9(11)5-8(3)12-10/h5,7,10H,4,6H2,1-3H3
InChIKeyCLZPYMAMTMWGIO-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds2

About 6-methyl-2-(2-methylpropyl)-2,3-dihydropyran-4-one

6-methyl-2-(2-methylpropyl)-2,3-dihydropyran-4-one (PubChem CID 14089578) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpropyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name6-methyl-2-(2-methylpropyl)-2,3-dihydropyran-4-one
PubChem CID14089578
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name6-methyl-2-(2-methylpropyl)-2,3-dihydropyran-4-one
SMILESCC1=CC(=O)CC(CC(C)C)O1
InChIInChI=1S/C10H16O2/c1-7(2)4-10-6-9(11)5-8(3)12-10/h5,7,10H,4,6H2,1-3H3
InChIKeyCLZPYMAMTMWGIO-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4H-Pyran-4-one, 2-ethyl-2,3-dihydro-3,5-dimethyl-6-(1-methyl-2-oxobutyl)-, (2S,3R)-
CID 159006
4H-Pyran-4-one, 2-ethyl-2,3-dihydro-6-methyl-
CID 11434994
Nhuvrklxarusnw-uhfffaoysa-
CID 11528380
Hepialone
CID 10942522
2,3-Dihydro-3,5-dimethyl-2,6-diethyl-4h-pyran-4-one
CID 13391759
3-Ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one
CID 10241790
3-Ethoxy-6-(3-methylbutyl)cyclohex-2-en-1-one
CID 10242233
2-Ethyl-3,5-dimethyl-6-(3-oxopentan-2-yl)-2,3-dihydropyran-4-one
CID 13116581
2-Tert-butyl-6-methyl-2,3-dihydropyran-4-one
CID 21676675
(2S,3S)-2-tert-butyl-3,6-dimethyl-2,3-dihydropyran-4-one
CID 11499326
(2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one
CID 102294821
(2S)-2-tert-butyl-6-ethyl-2,3-dihydropyran-4-one
CID 102294823

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpropyl)-2,3-dihydropyran-4-one?
The IUPAC name of 6-methyl-2-(2-methylpropyl)-2,3-dihydropyran-4-one (CID 14089578) is 6-methyl-2-(2-methylpropyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 6-methyl-2-(2-methylpropyl)-2,3-dihydropyran-4-one?
The canonical SMILES for 6-methyl-2-(2-methylpropyl)-2,3-dihydropyran-4-one is CC1=CC(=O)CC(CC(C)C)O1.
What is the InChIKey of 6-methyl-2-(2-methylpropyl)-2,3-dihydropyran-4-one?
The InChIKey is CLZPYMAMTMWGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)4-10-6-9(11)5-8(3)12-10/h5,7,10H,4,6H2,1-3H3.
What are the key properties of 6-methyl-2-(2-methylpropyl)-2,3-dihydropyran-4-one?
6-methyl-2-(2-methylpropyl)-2,3-dihydropyran-4-one has a molecular weight of 168.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpropyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 14089578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).