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

C18H32O3 — CID 71475983

IUPACethyl 2-[(2S,6R)-6-ethyl-2-hexyl-4-methyl-2,3-dihydropyran-6-yl]acetate
SMILESCCCCCC[C@H]1CC(C)=C[C@@](CC)(CC(=O)OCC)O1
InChIInChI=1S/C18H32O3/c1-5-8-9-10-11-16-12-15(4)13-18(6-2,21-16)14-17(19)20-7-3/h13,16H,5-12,14H2,1-4H3/t16-,18-/m0/s1
InChIKeyJUJOLDIERFCGAH-WMZOPIPTSA-N
MW296.45 g/mol
LogP4.79
Rot. Bonds9

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

ethyl 2-[(2S,6R)-6-ethyl-2-hexyl-4-methyl-2,3-dihydropyran-6-yl]acetate (PubChem CID 71475983) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethyl 2-[(2S,6R)-6-ethyl-2-hexyl-4-methyl-2,3-dihydropyran-6-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S,6R)-6-ethyl-2-hexyl-4-methyl-2,3-dihydropyran-6-yl]acetate
PubChem CID71475983
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Nameethyl 2-[(2S,6R)-6-ethyl-2-hexyl-4-methyl-2,3-dihydropyran-6-yl]acetate
SMILESCCCCCC[C@H]1CC(C)=C[C@@](CC)(CC(=O)OCC)O1
InChIInChI=1S/C18H32O3/c1-5-8-9-10-11-16-12-15(4)13-18(6-2,21-16)14-17(19)20-7-3/h13,16H,5-12,14H2,1-4H3/t16-,18-/m0/s1
InChIKeyJUJOLDIERFCGAH-WMZOPIPTSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-[(2S,6R)-6-ethyl-2-hexyl-4-methyl-2,3-dihydropyran-6-yl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,6R)-6-ethyl-2-hexyl-4-methyl-2,3-dihydropyran-6-yl]acetate?
The IUPAC name of ethyl 2-[(2S,6R)-6-ethyl-2-hexyl-4-methyl-2,3-dihydropyran-6-yl]acetate (CID 71475983) is ethyl 2-[(2S,6R)-6-ethyl-2-hexyl-4-methyl-2,3-dihydropyran-6-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S,6R)-6-ethyl-2-hexyl-4-methyl-2,3-dihydropyran-6-yl]acetate?
The canonical SMILES for ethyl 2-[(2S,6R)-6-ethyl-2-hexyl-4-methyl-2,3-dihydropyran-6-yl]acetate is CCCCCC[C@H]1CC(C)=C[C@@](CC)(CC(=O)OCC)O1.
What is the InChIKey of ethyl 2-[(2S,6R)-6-ethyl-2-hexyl-4-methyl-2,3-dihydropyran-6-yl]acetate?
The InChIKey is JUJOLDIERFCGAH-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H32O3/c1-5-8-9-10-11-16-12-15(4)13-18(6-2,21-16)14-17(19)20-7-3/h13,16H,5-12,14H2,1-4H3/t16-,18-/m0/s1.
What are the key properties of ethyl 2-[(2S,6R)-6-ethyl-2-hexyl-4-methyl-2,3-dihydropyran-6-yl]acetate?
ethyl 2-[(2S,6R)-6-ethyl-2-hexyl-4-methyl-2,3-dihydropyran-6-yl]acetate has a molecular weight of 296.45 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S,6R)-6-ethyl-2-hexyl-4-methyl-2,3-dihydropyran-6-yl]acetate is sourced from PubChem (CID 71475983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).