1-(4-methyl-3,6-dihydro-2H-pyran-6-yl)propan-2-one

C9H14O2 — CID 12669032

IUPAC1-(4-methyl-3,6-dihydro-2H-pyran-6-yl)propan-2-one
SMILESCC(=O)CC1C=C(C)CCO1
InChIInChI=1S/C9H14O2/c1-7-3-4-11-9(5-7)6-8(2)10/h5,9H,3-4,6H2,1-2H3
InChIKeyMQNNKDCDYIIROR-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds2

About 1-(4-methyl-3,6-dihydro-2H-pyran-6-yl)propan-2-one

1-(4-methyl-3,6-dihydro-2H-pyran-6-yl)propan-2-one (PubChem CID 12669032) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(4-methyl-3,6-dihydro-2H-pyran-6-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-methyl-3,6-dihydro-2H-pyran-6-yl)propan-2-one
PubChem CID12669032
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(4-methyl-3,6-dihydro-2H-pyran-6-yl)propan-2-one
SMILESCC(=O)CC1C=C(C)CCO1
InChIInChI=1S/C9H14O2/c1-7-3-4-11-9(5-7)6-8(2)10/h5,9H,3-4,6H2,1-2H3
InChIKeyMQNNKDCDYIIROR-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6-Dimethyl-3-methoxymethyl-p-benzoquinone
CID 6430513
1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone
CID 11182856
3-Ethoxymethyl-5,6-dimethylbenzo-1,4-quinone
CID 129853872
(E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]hex-4-enal
CID 134987735
1-[(2R)-2,5-Dihydrofuran-2-yl]propan-2-one
CID 14352522
1-(2,5-Dihydrofuran-2-yl)propan-2-one
CID 14352521
2-(1-Ethoxyethyl)cyclohexa-2,5-diene-1,4-dione
CID 15462984
[(5E)-6,10-dimethyl-2-oxoundeca-5,9-dien-4-yl] acetate
CID 19733955
2-Methyl-5-[1-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)ethoxy]ethyl]cyclohexa-2,5-diene-1,4-dione
CID 20537787
(E)-7-methoxy-6-methyloct-5-en-2-one
CID 21428484
1-(5-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone
CID 21986131
2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)acetaldehyde
CID 23549514

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3,6-dihydro-2H-pyran-6-yl)propan-2-one?
The IUPAC name of 1-(4-methyl-3,6-dihydro-2H-pyran-6-yl)propan-2-one (CID 12669032) is 1-(4-methyl-3,6-dihydro-2H-pyran-6-yl)propan-2-one.
What is the SMILES notation for 1-(4-methyl-3,6-dihydro-2H-pyran-6-yl)propan-2-one?
The canonical SMILES for 1-(4-methyl-3,6-dihydro-2H-pyran-6-yl)propan-2-one is CC(=O)CC1C=C(C)CCO1.
What is the InChIKey of 1-(4-methyl-3,6-dihydro-2H-pyran-6-yl)propan-2-one?
The InChIKey is MQNNKDCDYIIROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-3-4-11-9(5-7)6-8(2)10/h5,9H,3-4,6H2,1-2H3.
What are the key properties of 1-(4-methyl-3,6-dihydro-2H-pyran-6-yl)propan-2-one?
1-(4-methyl-3,6-dihydro-2H-pyran-6-yl)propan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3,6-dihydro-2H-pyran-6-yl)propan-2-one is sourced from PubChem (CID 12669032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).