ethyl 6-methyl-2,5-dihydropyran-6-carboxylate

C9H14O3 — CID 10583282

IUPACethyl 6-methyl-2,5-dihydropyran-6-carboxylate
SMILESCCOC(=O)C1(C)CC=CCO1
InChIInChI=1S/C9H14O3/c1-3-11-8(10)9(2)6-4-5-7-12-9/h4-5H,3,6-7H2,1-2H3
InChIKeyVTQFMEBUGATGMJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds2

About ethyl 6-methyl-2,5-dihydropyran-6-carboxylate

ethyl 6-methyl-2,5-dihydropyran-6-carboxylate (PubChem CID 10583282) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethyl 6-methyl-2,5-dihydropyran-6-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2,5-dihydropyran-6-carboxylate
PubChem CID10583282
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Nameethyl 6-methyl-2,5-dihydropyran-6-carboxylate
SMILESCCOC(=O)C1(C)CC=CCO1
InChIInChI=1S/C9H14O3/c1-3-11-8(10)9(2)6-4-5-7-12-9/h4-5H,3,6-7H2,1-2H3
InChIKeyVTQFMEBUGATGMJ-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxylate
CID 12414263
methyl 2-(hydroxymethyl)-3,6-dihydro-2H-pyran-2-carboxylate
CID 139026615
ethyl (2S,5S)-5-tert-butyl-3,5-dimethyl-2H-furan-2-carboxylate
CID 101083205
Tert-butyl 7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxylate
CID 12488874
methyl 2-(trifluoromethyl)-3,6-dihydro-2H-pyran-2-carboxylate
CID 4920697
ethyl 3,3-difluoro-2-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 86690124
5,5-difluoro-6-methyl-2H-pyran-6-carboxylic acid
CID 141434971
Diethyl 3,6-dihydro-2H-pyran-2,2-dicarboxylate
CID 556968
methyl 3,6-dihydro-2H-pyran-2-carboxylate
CID 13756578
methyl 2-methyl-3-[(E)-prop-1-enyl]oxirane-2-carboxylate
CID 131243860
methyl (2S,6S)-2-ethyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 10511355
methyl (2S,6R)-2-methyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 10820815

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2,5-dihydropyran-6-carboxylate?
The IUPAC name of ethyl 6-methyl-2,5-dihydropyran-6-carboxylate (CID 10583282) is ethyl 6-methyl-2,5-dihydropyran-6-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2,5-dihydropyran-6-carboxylate?
The canonical SMILES for ethyl 6-methyl-2,5-dihydropyran-6-carboxylate is CCOC(=O)C1(C)CC=CCO1.
What is the InChIKey of ethyl 6-methyl-2,5-dihydropyran-6-carboxylate?
The InChIKey is VTQFMEBUGATGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-11-8(10)9(2)6-4-5-7-12-9/h4-5H,3,6-7H2,1-2H3.
What are the key properties of ethyl 6-methyl-2,5-dihydropyran-6-carboxylate?
ethyl 6-methyl-2,5-dihydropyran-6-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2,5-dihydropyran-6-carboxylate is sourced from PubChem (CID 10583282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).