ethyl (2S,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate

C10H16O3 — CID 10487735

IUPACethyl (2S,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC(C)=C[C@H](C)O1
InChIInChI=1S/C10H16O3/c1-4-12-10(11)9-6-7(2)5-8(3)13-9/h5,8-9H,4,6H2,1-3H3/t8-,9-/m0/s1
InChIKeyQULHYENBSLHHNY-IUCAKERBSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds2

About ethyl (2S,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate

ethyl (2S,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 10487735) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl (2S,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID10487735
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl (2S,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC(C)=C[C@H](C)O1
InChIInChI=1S/C10H16O3/c1-4-12-10(11)9-6-7(2)5-8(3)13-9/h5,8-9H,4,6H2,1-3H3/t8-,9-/m0/s1
InChIKeyQULHYENBSLHHNY-IUCAKERBSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

Computed Properties (RDKit)

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

Analyze ethyl (2S,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,6R)-6-butyl-4-methyl-3,6-dihydro-2H-pyran-3-yl] acetate
CID 11974281
methyl 4-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran-2-carboxylate
CID 4920698
methyl (E)-3-methylidene-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)hex-4-enoate
CID 134590702
2H-Pyran-2,2-dicarboxylic acid, 3,6-dihydro-4-methyl-, diethyl ester
CID 565258
ethyl 4,5-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 11953641
methyl 3,6-dihydro-2H-pyran-2-carboxylate
CID 13756578
methyl (2S,6S)-2-ethyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 10511355
ethyl (2R)-4,5-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 10877795
diethyl (E)-2-but-3-enyl-3-methoxybut-2-enedioate
CID 14183977
Methyl 3-heptyl-5-methyl-2,5-dihydrofuran-2-carboxylate
CID 14665660
methyl (2R,3S,6R)-3-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran-6-carboxylate
CID 15441274
methyl (2S,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate
CID 101342640

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of ethyl (2S,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate (CID 10487735) is ethyl (2S,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for ethyl (2S,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for ethyl (2S,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate is CCOC(=O)[C@@H]1CC(C)=C[C@H](C)O1.
What is the InChIKey of ethyl (2S,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is QULHYENBSLHHNY-IUCAKERBSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-12-10(11)9-6-7(2)5-8(3)13-9/h5,8-9H,4,6H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of ethyl (2S,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate?
ethyl (2S,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 10487735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).