2-(1-methoxypropan-2-yl)-2,3-dihydropyran-4-one

C9H14O3 — CID 116503195

IUPAC2-(1-methoxypropan-2-yl)-2,3-dihydropyran-4-one
SMILESCOCC(C)C1CC(=O)C=CO1
InChIInChI=1S/C9H14O3/c1-7(6-11-2)9-5-8(10)3-4-12-9/h3-4,7,9H,5-6H2,1-2H3
InChIKeyWSLIQIXXEWCAAA-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.14
Rot. Bonds3

About 2-(1-methoxypropan-2-yl)-2,3-dihydropyran-4-one

2-(1-methoxypropan-2-yl)-2,3-dihydropyran-4-one (PubChem CID 116503195) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yl)-2,3-dihydropyran-4-one
PubChem CID116503195
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-(1-methoxypropan-2-yl)-2,3-dihydropyran-4-one
SMILESCOCC(C)C1CC(=O)C=CO1
InChIInChI=1S/C9H14O3/c1-7(6-11-2)9-5-8(10)3-4-12-9/h3-4,7,9H,5-6H2,1-2H3
InChIKeyWSLIQIXXEWCAAA-UHFFFAOYSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Propan-2-yl)-2,3-dihydro-4H-pyran-4-one
CID 12789094
1,9-Dioxaspiro[5.5]undec-2-en-4-one
CID 64107091
2-Tert-butyl-2,3-dihydropyran-4-one
CID 11378618
2-Propan-2-ylpyran-3,4-dione
CID 21397330
(2S)-2,3-Dihydro-2-(1-methylethyl)-4H-pyran-4-one
CID 60152999
(2S)-2-tert-butyl-2,3-dihydropyran-4-one
CID 89353007
4-Ethenyl-3,5-dimethoxycyclohex-2-en-1-one
CID 91391325
(2R,3R)-2-ethyl-3-methyl-2,3-dihydropyran-4-one
CID 157690897
2-Tert-butyl-2,3-dihydropyran-4-one;methane
CID 158137598
3-Ethyl-2-propan-2-yl-2,3-dihydropyran-4-one
CID 12789097
2-(2-Methylpropyl)-2,3-dihydro-4H-pyran-4-one
CID 13197913
3-Methyl-2-propyl-2,3-dihydropyran-4-one
CID 15629658

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yl)-2,3-dihydropyran-4-one?
The IUPAC name of 2-(1-methoxypropan-2-yl)-2,3-dihydropyran-4-one (CID 116503195) is 2-(1-methoxypropan-2-yl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-(1-methoxypropan-2-yl)-2,3-dihydropyran-4-one?
The canonical SMILES for 2-(1-methoxypropan-2-yl)-2,3-dihydropyran-4-one is COCC(C)C1CC(=O)C=CO1.
What is the InChIKey of 2-(1-methoxypropan-2-yl)-2,3-dihydropyran-4-one?
The InChIKey is WSLIQIXXEWCAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-7(6-11-2)9-5-8(10)3-4-12-9/h3-4,7,9H,5-6H2,1-2H3.
What are the key properties of 2-(1-methoxypropan-2-yl)-2,3-dihydropyran-4-one?
2-(1-methoxypropan-2-yl)-2,3-dihydropyran-4-one has a molecular weight of 170.21 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 116503195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).