1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylbutan-1-one

C11H18O2 — CID 115798205

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)C1=COCCC1
InChIInChI=1S/C11H18O2/c1-4-11(2,3)10(12)9-6-5-7-13-8-9/h8H,4-7H2,1-3H3
InChIKeyFXMBSZWDYBRRBX-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylbutan-1-one

1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylbutan-1-one (PubChem CID 115798205) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylbutan-1-one
PubChem CID115798205
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)C1=COCCC1
InChIInChI=1S/C11H18O2/c1-4-11(2,3)10(12)9-6-5-7-13-8-9/h8H,4-7H2,1-3H3
InChIKeyFXMBSZWDYBRRBX-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-2-methylpropan-1-one
CID 130562299
3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone
CID 130855794
(2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one
CID 89910737
4-Ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one
CID 123674093
2,5,5-Trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-1-en-3-one
CID 139387369
(2E)-4,4-dimethyl-2-[[11-methyl-10,10-di(propan-2-yl)dodecoxy]methylidene]cyclohexan-1-one
CID 149632450
(2E)-2-(10,10-dimethylundecoxymethylidene)-4,4-dimethylcyclohexan-1-one
CID 151511488
6,6-Dimethyl-3-(2-methylpropoxy)-2-propan-2-ylcyclohex-2-en-1-one
CID 162724320
6,6-Dimethyl-3-(2-methylpropoxy)-2-propylcyclohex-2-en-1-one
CID 162724326
(2E)-4,4-dimethyl-2-(10,10,11,11-tetramethyldodecoxymethylidene)cyclohexan-1-one
CID 172710884
1-(3,4-dihydro-2H-pyran-5-yl)-2-methylprop-2-en-1-one
CID 12141344
2-(1-Ethoxypropan-2-yl)-3,5-dimethyl-2,3-dihydropyran-4-one
CID 21718470

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylbutan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylbutan-1-one (CID 115798205) is 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylbutan-1-one is CCC(C)(C)C(=O)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylbutan-1-one?
The InChIKey is FXMBSZWDYBRRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-11(2,3)10(12)9-6-5-7-13-8-9/h8H,4-7H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylbutan-1-one?
1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylbutan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylbutan-1-one is sourced from PubChem (CID 115798205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).