1-(3,4-dihydro-2H-pyran-5-yl)-2-propan-2-yloxyethanone

C10H16O3 — CID 105127438

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)C1=COCCC1
InChIInChI=1S/C10H16O3/c1-8(2)13-7-10(11)9-4-3-5-12-6-9/h6,8H,3-5,7H2,1-2H3
InChIKeyOPQHLJYPNFJGHB-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-5-yl)-2-propan-2-yloxyethanone

1-(3,4-dihydro-2H-pyran-5-yl)-2-propan-2-yloxyethanone (PubChem CID 105127438) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-propan-2-yloxyethanone
PubChem CID105127438
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)C1=COCCC1
InChIInChI=1S/C10H16O3/c1-8(2)13-7-10(11)9-4-3-5-12-6-9/h6,8H,3-5,7H2,1-2H3
InChIKeyOPQHLJYPNFJGHB-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(3,4-dihydro-2H-pyran-5-yl)-2-oxoacetate
CID 71758155
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylidenepentan-1-one
CID 85991138
1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214355
1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 103473685
2-Methyl-1-(oxolan-2-yl)prop-2-en-1-one
CID 13878820
4-Propylfuran-3-one
CID 59527642
(3E)-3-(ethoxymethylidene)-1-methoxyhexane-2,4-dione
CID 134610272
3-(Ethoxymethylidene)-1-methoxyhexane-2,4-dione
CID 140879770
2-Ethoxy-6-methylidenecyclohexan-1-one
CID 153707372
3-Hydroxy-5-propylpyran-4-one
CID 171625722
methyl 2-(3,4-dihydro-2H-pyran-5-yl)-2-oxoacetate
CID 101256196
4-Methylidene-2-propoxyhex-1-en-3-one
CID 101461882

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-propan-2-yloxyethanone (CID 105127438) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-propan-2-yloxyethanone?
The InChIKey is OPQHLJYPNFJGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(2)13-7-10(11)9-4-3-5-12-6-9/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-propan-2-yloxyethanone?
1-(3,4-dihydro-2H-pyran-5-yl)-2-propan-2-yloxyethanone has a molecular weight of 184.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 105127438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).