(3R)-3-ethyl-2,2-dimethyl-3H-pyran-6-one

C9H14O2 — CID 138984655

IUPAC(3R)-3-ethyl-2,2-dimethyl-3H-pyran-6-one
SMILESCC[C@@H]1C=CC(=O)OC1(C)C
InChIInChI=1S/C9H14O2/c1-4-7-5-6-8(10)11-9(7,2)3/h5-7H,4H2,1-3H3/t7-/m1/s1
InChIKeyVCLIDFOHXFTPBQ-SSDOTTSWSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds1

About (3R)-3-ethyl-2,2-dimethyl-3H-pyran-6-one

(3R)-3-ethyl-2,2-dimethyl-3H-pyran-6-one (PubChem CID 138984655) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (3R)-3-ethyl-2,2-dimethyl-3H-pyran-6-one.

Molecular Properties

Compound Name(3R)-3-ethyl-2,2-dimethyl-3H-pyran-6-one
PubChem CID138984655
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(3R)-3-ethyl-2,2-dimethyl-3H-pyran-6-one
SMILESCC[C@@H]1C=CC(=O)OC1(C)C
InChIInChI=1S/C9H14O2/c1-4-7-5-6-8(10)11-9(7,2)3/h5-7H,4H2,1-3H3/t7-/m1/s1
InChIKeyVCLIDFOHXFTPBQ-SSDOTTSWSA-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

4,6,6-Trimethyl-5,6-dihydro-2H-pyran-2-one
CID 247461
tert-butyl (2E)-3-cyclohexylprop-2-enoate
CID 11287288
(5R)-5-methyl-5-(4-methylpent-3-enyl)furan-2-one
CID 101897151
6,6-Dimethyl-5,6-dihydro-2H-pyran-2-one
CID 12553933
[(1R,2S,6R)-2,6-dimethylcyclohex-3-en-1-yl] (E)-but-2-enoate
CID 130344598
7a-Methyl-6,7-dihydrocyclopenta[b]pyran-2-one
CID 11457774
(2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one
CID 14692168
1-Oxaspiro[4.4]nona-3,8-dien-2-one
CID 15414455
6-Oxo-1-(propan-2-yl)cyclohexa-2,4-dien-1-yl acetate
CID 71380227
6,6-Dimethyl-4-(propan-2-yl)-5,6-dihydro-2H-pyran-2-one
CID 71443194
ethyl (Z,5R)-5-hydroxy-5,6-dimethylhept-2-enoate
CID 101424863
(2S,3R)-2-[(E)-but-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one
CID 101692354

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-2,2-dimethyl-3H-pyran-6-one?
The IUPAC name of (3R)-3-ethyl-2,2-dimethyl-3H-pyran-6-one (CID 138984655) is (3R)-3-ethyl-2,2-dimethyl-3H-pyran-6-one.
What is the SMILES notation for (3R)-3-ethyl-2,2-dimethyl-3H-pyran-6-one?
The canonical SMILES for (3R)-3-ethyl-2,2-dimethyl-3H-pyran-6-one is CC[C@@H]1C=CC(=O)OC1(C)C.
What is the InChIKey of (3R)-3-ethyl-2,2-dimethyl-3H-pyran-6-one?
The InChIKey is VCLIDFOHXFTPBQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-7-5-6-8(10)11-9(7,2)3/h5-7H,4H2,1-3H3/t7-/m1/s1.
What are the key properties of (3R)-3-ethyl-2,2-dimethyl-3H-pyran-6-one?
(3R)-3-ethyl-2,2-dimethyl-3H-pyran-6-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 (3R)-3-ethyl-2,2-dimethyl-3H-pyran-6-one is sourced from PubChem (CID 138984655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).