5-methyl-2-propan-2-yl-2,3-dihydropyran-4-one

C9H14O2 — CID 130036481

IUPAC5-methyl-2-propan-2-yl-2,3-dihydropyran-4-one
SMILESCC1=COC(C(C)C)CC1=O
InChIInChI=1S/C9H14O2/c1-6(2)9-4-8(10)7(3)5-11-9/h5-6,9H,4H2,1-3H3
InChIKeyFSHCNVYQIDCTEP-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds1

About 5-methyl-2-propan-2-yl-2,3-dihydropyran-4-one

5-methyl-2-propan-2-yl-2,3-dihydropyran-4-one (PubChem CID 130036481) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-2,3-dihydropyran-4-one
PubChem CID130036481
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name5-methyl-2-propan-2-yl-2,3-dihydropyran-4-one
SMILESCC1=COC(C(C)C)CC1=O
InChIInChI=1S/C9H14O2/c1-6(2)9-4-8(10)7(3)5-11-9/h5-6,9H,4H2,1-3H3
InChIKeyFSHCNVYQIDCTEP-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Propan-2-yl)-2,3-dihydro-4H-pyran-4-one
CID 12789094
3,5-dimethyl-3,4-dihydro-2H-pyran-4-one
CID 14394611
3,5-Dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 13081492
2-Butyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090578
(2S,3R)-2-butyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090579
(2S,3S)-3,5-dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 101240152
2-Butyl-5-methyl-2,3-dihydropyran-4-one
CID 130036444
2-Ethyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 74320459
2,3,5-Trimethyl-2,3-dihydropyran-4-one
CID 21286956
(2S)-2,3-Dihydro-2-(1-methylethyl)-4H-pyran-4-one
CID 60152999
3-Methyl-5-(2-methylpropyl)pyran-4-one
CID 89605756
4-(Ethoxymethylidene)-2-methylheptan-3-one
CID 90706557

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-2,3-dihydropyran-4-one?
The IUPAC name of 5-methyl-2-propan-2-yl-2,3-dihydropyran-4-one (CID 130036481) is 5-methyl-2-propan-2-yl-2,3-dihydropyran-4-one.
What is the SMILES notation for 5-methyl-2-propan-2-yl-2,3-dihydropyran-4-one?
The canonical SMILES for 5-methyl-2-propan-2-yl-2,3-dihydropyran-4-one is CC1=COC(C(C)C)CC1=O.
What is the InChIKey of 5-methyl-2-propan-2-yl-2,3-dihydropyran-4-one?
The InChIKey is FSHCNVYQIDCTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6(2)9-4-8(10)7(3)5-11-9/h5-6,9H,4H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-2,3-dihydropyran-4-one?
5-methyl-2-propan-2-yl-2,3-dihydropyran-4-one has a molecular weight of 154.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-2,3-dihydropyran-4-one is sourced from PubChem (CID 130036481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).