ethyl 2-[(2R,6R)-2-cyclohexyl-4,6-dimethyl-2,3-dihydropyran-6-yl]acetate

C17H28O3 — CID 71478133

IUPACethyl 2-[(2R,6R)-2-cyclohexyl-4,6-dimethyl-2,3-dihydropyran-6-yl]acetate
SMILESCCOC(=O)C[C@]1(C)C=C(C)C[C@H](C2CCCCC2)O1
InChIInChI=1S/C17H28O3/c1-4-19-16(18)12-17(3)11-13(2)10-15(20-17)14-8-6-5-7-9-14/h11,14-15H,4-10,12H2,1-3H3/t15-,17+/m1/s1
InChIKeyGPRBCDSZXKJOMC-WBVHZDCISA-N
MW280.41 g/mol
LogP4.01
Rot. Bonds4

About ethyl 2-[(2R,6R)-2-cyclohexyl-4,6-dimethyl-2,3-dihydropyran-6-yl]acetate

ethyl 2-[(2R,6R)-2-cyclohexyl-4,6-dimethyl-2,3-dihydropyran-6-yl]acetate (PubChem CID 71478133) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is ethyl 2-[(2R,6R)-2-cyclohexyl-4,6-dimethyl-2,3-dihydropyran-6-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,6R)-2-cyclohexyl-4,6-dimethyl-2,3-dihydropyran-6-yl]acetate
PubChem CID71478133
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Nameethyl 2-[(2R,6R)-2-cyclohexyl-4,6-dimethyl-2,3-dihydropyran-6-yl]acetate
SMILESCCOC(=O)C[C@]1(C)C=C(C)C[C@H](C2CCCCC2)O1
InChIInChI=1S/C17H28O3/c1-4-19-16(18)12-17(3)11-13(2)10-15(20-17)14-8-6-5-7-9-14/h11,14-15H,4-10,12H2,1-3H3/t15-,17+/m1/s1
InChIKeyGPRBCDSZXKJOMC-WBVHZDCISA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-[(2R,6R)-2-cyclohexyl-4,6-dimethyl-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-[(2R,6R)-2-cyclohexyl-4,6-dimethyl-2,3-dihydropyran-6-yl]acetate?
The IUPAC name of ethyl 2-[(2R,6R)-2-cyclohexyl-4,6-dimethyl-2,3-dihydropyran-6-yl]acetate (CID 71478133) is ethyl 2-[(2R,6R)-2-cyclohexyl-4,6-dimethyl-2,3-dihydropyran-6-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,6R)-2-cyclohexyl-4,6-dimethyl-2,3-dihydropyran-6-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,6R)-2-cyclohexyl-4,6-dimethyl-2,3-dihydropyran-6-yl]acetate is CCOC(=O)C[C@]1(C)C=C(C)C[C@H](C2CCCCC2)O1.
What is the InChIKey of ethyl 2-[(2R,6R)-2-cyclohexyl-4,6-dimethyl-2,3-dihydropyran-6-yl]acetate?
The InChIKey is GPRBCDSZXKJOMC-WBVHZDCISA-N. The full InChI is InChI=1S/C17H28O3/c1-4-19-16(18)12-17(3)11-13(2)10-15(20-17)14-8-6-5-7-9-14/h11,14-15H,4-10,12H2,1-3H3/t15-,17+/m1/s1.
What are the key properties of ethyl 2-[(2R,6R)-2-cyclohexyl-4,6-dimethyl-2,3-dihydropyran-6-yl]acetate?
ethyl 2-[(2R,6R)-2-cyclohexyl-4,6-dimethyl-2,3-dihydropyran-6-yl]acetate has a molecular weight of 280.41 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,6R)-2-cyclohexyl-4,6-dimethyl-2,3-dihydropyran-6-yl]acetate is sourced from PubChem (CID 71478133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).