ethyl 6-propoxy-3,6-dihydro-2H-pyran-2-carboxylate

C11H18O4 — CID 557224

IUPACethyl 6-propoxy-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCCOC1C=CCC(C(=O)OCC)O1
InChIInChI=1S/C11H18O4/c1-3-8-14-10-7-5-6-9(15-10)11(12)13-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyHOVSCCYKTPZPIT-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds5

About ethyl 6-propoxy-3,6-dihydro-2H-pyran-2-carboxylate

ethyl 6-propoxy-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 557224) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 6-propoxy-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-propoxy-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID557224
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl 6-propoxy-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCCOC1C=CCC(C(=O)OCC)O1
InChIInChI=1S/C11H18O4/c1-3-8-14-10-7-5-6-9(15-10)11(12)13-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyHOVSCCYKTPZPIT-UHFFFAOYSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 11745085
ethyl (4R)-4-methyloxetane-2-carboxylate
CID 178051520
lithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide
CID 159552567
butyl (2R)-3,6-dihydro-2H-pyran-2-carboxylate
CID 71441286
ethyl 5-hydroxycyclohex-3-ene-1-carboxylate
CID 72828488
diethyl (1S,4R)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 102122255
ethyl (1R)-cyclohexa-2,4-diene-1-carboxylate
CID 142951121
diethyl (2S,3S)-oxirane-2,3-dicarboxylate
CID 7021072
ethyl cycloprop-2-ene-1-carboxylate
CID 14936132
1-O-ethyl 2-O-hexadecyl cyclohex-4-ene-1,2-dicarboxylate
CID 69475853
(1R,2R,6R)-6-ethoxycarbonyl-2-methylcyclohex-3-ene-1-carboxylic acid
CID 144904032
ethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate
CID 139939007

Frequently Asked Questions

What is the IUPAC name of ethyl 6-propoxy-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of ethyl 6-propoxy-3,6-dihydro-2H-pyran-2-carboxylate (CID 557224) is ethyl 6-propoxy-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for ethyl 6-propoxy-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for ethyl 6-propoxy-3,6-dihydro-2H-pyran-2-carboxylate is CCCOC1C=CCC(C(=O)OCC)O1.
What is the InChIKey of ethyl 6-propoxy-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is HOVSCCYKTPZPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-8-14-10-7-5-6-9(15-10)11(12)13-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3.
What are the key properties of ethyl 6-propoxy-3,6-dihydro-2H-pyran-2-carboxylate?
ethyl 6-propoxy-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-propoxy-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 557224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).