methyl (2R,6S)-5-methyl-6-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxylate

C11H18O3 — CID 134862553

IUPACmethyl (2R,6S)-5-methyl-6-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCOC(=O)[C@H]1CC=C(C)[C@H](C(C)C)O1
InChIInChI=1S/C11H18O3/c1-7(2)10-8(3)5-6-9(14-10)11(12)13-4/h5,7,9-10H,6H2,1-4H3/t9-,10+/m1/s1
InChIKeyGUAHNTKHSVAEIU-ZJUUUORDSA-N
MW198.26 g/mol
LogP1.92
Rot. Bonds2

About methyl (2R,6S)-5-methyl-6-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxylate

methyl (2R,6S)-5-methyl-6-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 134862553) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl (2R,6S)-5-methyl-6-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6S)-5-methyl-6-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID134862553
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl (2R,6S)-5-methyl-6-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCOC(=O)[C@H]1CC=C(C)[C@H](C(C)C)O1
InChIInChI=1S/C11H18O3/c1-7(2)10-8(3)5-6-9(14-10)11(12)13-4/h5,7,9-10H,6H2,1-4H3/t9-,10+/m1/s1
InChIKeyGUAHNTKHSVAEIU-ZJUUUORDSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2R,6S)-5-methyl-6-propan-2-yl-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

ethyl (2S,5S)-5-tert-butyl-3,5-dimethyl-2H-furan-2-carboxylate
CID 101083205
ethyl 4,5-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 11953641
methyl (2R,6R)-2-tert-butyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 10631818
ethyl (2R)-4,5-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 10877795
methyl (2R,3S,6R)-2-butyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 11148550
methyl (2R,3S,6R)-3-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran-6-carboxylate
CID 15441274
methyl (2R,3S,6S)-2-butyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 15441275
methyl (2S,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate
CID 101342640
methyl (2S,5S)-5-tert-butyl-3-methyl-2,5-dihydrofuran-2-carboxylate
CID 102376970
methyl (2S,3S,6S)-3-methyl-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate
CID 134928749
methyl (2R,6S)-2-tert-butyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 134930650
methyl (2R,6R)-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran-6-carboxylate
CID 134995940

Frequently Asked Questions

What is the IUPAC name of methyl (2R,6S)-5-methyl-6-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of methyl (2R,6S)-5-methyl-6-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxylate (CID 134862553) is methyl (2R,6S)-5-methyl-6-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for methyl (2R,6S)-5-methyl-6-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for methyl (2R,6S)-5-methyl-6-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxylate is COC(=O)[C@H]1CC=C(C)[C@H](C(C)C)O1.
What is the InChIKey of methyl (2R,6S)-5-methyl-6-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is GUAHNTKHSVAEIU-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H18O3/c1-7(2)10-8(3)5-6-9(14-10)11(12)13-4/h5,7,9-10H,6H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of methyl (2R,6S)-5-methyl-6-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxylate?
methyl (2R,6S)-5-methyl-6-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 198.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6S)-5-methyl-6-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 134862553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).