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

C14H24O3 — CID 71478132

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

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

ethyl 2-[(2S,6R)-4,6-dimethyl-2-propyl-2,3-dihydropyran-6-yl]acetate (PubChem CID 71478132) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethyl 2-[(2S,6R)-4,6-dimethyl-2-propyl-2,3-dihydropyran-6-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S,6R)-4,6-dimethyl-2-propyl-2,3-dihydropyran-6-yl]acetate
PubChem CID71478132
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethyl 2-[(2S,6R)-4,6-dimethyl-2-propyl-2,3-dihydropyran-6-yl]acetate
SMILESCCC[C@H]1CC(C)=C[C@@](C)(CC(=O)OCC)O1
InChIInChI=1S/C14H24O3/c1-5-7-12-8-11(3)9-14(4,17-12)10-13(15)16-6-2/h9,12H,5-8,10H2,1-4H3/t12-,14-/m0/s1
InChIKeyFXDPYRYXXPOJAZ-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'}

Analyze ethyl 2-[(2S,6R)-4,6-dimethyl-2-propyl-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

Related Compounds

[(6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-4-yl] acetate
CID 10730218
2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate
CID 216439
Butanoic acid, 2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-yl ester
CID 16205868
[(4R,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-4-yl] acetate
CID 162852901
[(4S,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-4-yl] acetate
CID 163193055
(3-Methylcyclohex-2-en-1-yl) 2-methylbutanoate
CID 184628
3-Ethyl-2-propyl-2,5-dihydropyran-6-one
CID 12063898
methyl 2-methyl-2-[(2R,6R)-6-pentyl-3,6-dihydro-2H-pyran-2-yl]propanoate
CID 44243677
ethyl 2-[(2S,6R)-2,6-diethyl-4-methyl-2,3-dihydropyran-6-yl]acetate
CID 71475982
ethyl 2-[(2S,6R)-6-ethyl-2-hexyl-4-methyl-2,3-dihydropyran-6-yl]acetate
CID 71475983
ethyl 2-[(2S,6R)-4,6-dimethyl-2-(2-methylpropyl)-2,3-dihydropyran-6-yl]acetate
CID 71478134
Ethyl 2-(4,5,5-trimethyl-2,5-dihydrofuran-2-yl)acetate
CID 129744699

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,6R)-4,6-dimethyl-2-propyl-2,3-dihydropyran-6-yl]acetate?
The IUPAC name of ethyl 2-[(2S,6R)-4,6-dimethyl-2-propyl-2,3-dihydropyran-6-yl]acetate (CID 71478132) is ethyl 2-[(2S,6R)-4,6-dimethyl-2-propyl-2,3-dihydropyran-6-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S,6R)-4,6-dimethyl-2-propyl-2,3-dihydropyran-6-yl]acetate?
The canonical SMILES for ethyl 2-[(2S,6R)-4,6-dimethyl-2-propyl-2,3-dihydropyran-6-yl]acetate is CCC[C@H]1CC(C)=C[C@@](C)(CC(=O)OCC)O1.
What is the InChIKey of ethyl 2-[(2S,6R)-4,6-dimethyl-2-propyl-2,3-dihydropyran-6-yl]acetate?
The InChIKey is FXDPYRYXXPOJAZ-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-7-12-8-11(3)9-14(4,17-12)10-13(15)16-6-2/h9,12H,5-8,10H2,1-4H3/t12-,14-/m0/s1.
What are the key properties of ethyl 2-[(2S,6R)-4,6-dimethyl-2-propyl-2,3-dihydropyran-6-yl]acetate?
ethyl 2-[(2S,6R)-4,6-dimethyl-2-propyl-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)-4,6-dimethyl-2-propyl-2,3-dihydropyran-6-yl]acetate is sourced from PubChem (CID 71478132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).