ethyl 2-[(2S,6R)-2,6-diethyl-4-methyl-2,3-dihydropyran-6-yl]acetate

C14H24O3 — CID 71475982

IUPACethyl 2-[(2S,6R)-2,6-diethyl-4-methyl-2,3-dihydropyran-6-yl]acetate
SMILESCCOC(=O)C[C@]1(CC)C=C(C)C[C@H](CC)O1
InChIInChI=1S/C14H24O3/c1-5-12-8-11(4)9-14(6-2,17-12)10-13(15)16-7-3/h9,12H,5-8,10H2,1-4H3/t12-,14-/m0/s1
InChIKeyRUVVGOCHNICVRX-JSGCOSHPSA-N
MW240.34 g/mol
LogP3.23
Rot. Bonds5

About ethyl 2-[(2S,6R)-2,6-diethyl-4-methyl-2,3-dihydropyran-6-yl]acetate

ethyl 2-[(2S,6R)-2,6-diethyl-4-methyl-2,3-dihydropyran-6-yl]acetate (PubChem CID 71475982) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethyl 2-[(2S,6R)-2,6-diethyl-4-methyl-2,3-dihydropyran-6-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S,6R)-2,6-diethyl-4-methyl-2,3-dihydropyran-6-yl]acetate
PubChem CID71475982
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethyl 2-[(2S,6R)-2,6-diethyl-4-methyl-2,3-dihydropyran-6-yl]acetate
SMILESCCOC(=O)C[C@]1(CC)C=C(C)C[C@H](CC)O1
InChIInChI=1S/C14H24O3/c1-5-12-8-11(4)9-14(6-2,17-12)10-13(15)16-7-3/h9,12H,5-8,10H2,1-4H3/t12-,14-/m0/s1
InChIKeyRUVVGOCHNICVRX-JSGCOSHPSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,6R)-2,6-diethyl-4-methyl-2,3-dihydropyran-6-yl]acetate?
The IUPAC name of ethyl 2-[(2S,6R)-2,6-diethyl-4-methyl-2,3-dihydropyran-6-yl]acetate (CID 71475982) is ethyl 2-[(2S,6R)-2,6-diethyl-4-methyl-2,3-dihydropyran-6-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S,6R)-2,6-diethyl-4-methyl-2,3-dihydropyran-6-yl]acetate?
The canonical SMILES for ethyl 2-[(2S,6R)-2,6-diethyl-4-methyl-2,3-dihydropyran-6-yl]acetate is CCOC(=O)C[C@]1(CC)C=C(C)C[C@H](CC)O1.
What is the InChIKey of ethyl 2-[(2S,6R)-2,6-diethyl-4-methyl-2,3-dihydropyran-6-yl]acetate?
The InChIKey is RUVVGOCHNICVRX-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-12-8-11(4)9-14(6-2,17-12)10-13(15)16-7-3/h9,12H,5-8,10H2,1-4H3/t12-,14-/m0/s1.
What are the key properties of ethyl 2-[(2S,6R)-2,6-diethyl-4-methyl-2,3-dihydropyran-6-yl]acetate?
ethyl 2-[(2S,6R)-2,6-diethyl-4-methyl-2,3-dihydropyran-6-yl]acetate has a molecular weight of 240.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S,6R)-2,6-diethyl-4-methyl-2,3-dihydropyran-6-yl]acetate is sourced from PubChem (CID 71475982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).