methyl 2-[(2R)-4-ethyl-2-[(2R)-2-ethylhept-3-enyl]-2H-furan-5-ylidene]acetate

C18H28O3 — CID 163103082

IUPACmethyl 2-[(2R)-4-ethyl-2-[(2R)-2-ethylhept-3-enyl]-2H-furan-5-ylidene]acetate
SMILESCCCC=C[C@H](CC)C[C@@H]1C=C(CC)C(=CC(=O)OC)O1
InChIInChI=1S/C18H28O3/c1-5-8-9-10-14(6-2)11-16-12-15(7-3)17(21-16)13-18(19)20-4/h9-10,12-14,16H,5-8,11H2,1-4H3/t14-,16+/m0/s1
InChIKeyVEFWVOKQOAMEEI-GOEBONIOSA-N
MW292.42 g/mol
LogP4.55
Rot. Bonds8

About methyl 2-[(2R)-4-ethyl-2-[(2R)-2-ethylhept-3-enyl]-2H-furan-5-ylidene]acetate

methyl 2-[(2R)-4-ethyl-2-[(2R)-2-ethylhept-3-enyl]-2H-furan-5-ylidene]acetate (PubChem CID 163103082) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is methyl 2-[(2R)-4-ethyl-2-[(2R)-2-ethylhept-3-enyl]-2H-furan-5-ylidene]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-4-ethyl-2-[(2R)-2-ethylhept-3-enyl]-2H-furan-5-ylidene]acetate
PubChem CID163103082
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Namemethyl 2-[(2R)-4-ethyl-2-[(2R)-2-ethylhept-3-enyl]-2H-furan-5-ylidene]acetate
SMILESCCCC=C[C@H](CC)C[C@@H]1C=C(CC)C(=CC(=O)OC)O1
InChIInChI=1S/C18H28O3/c1-5-8-9-10-14(6-2)11-16-12-15(7-3)17(21-16)13-18(19)20-4/h9-10,12-14,16H,5-8,11H2,1-4H3/t14-,16+/m0/s1
InChIKeyVEFWVOKQOAMEEI-GOEBONIOSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-[(2R)-4-ethyl-2-[(2R)-2-ethylhept-3-enyl]-2H-furan-5-ylidene]acetate with MolForge

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Related Compounds

methyl 2-[(5R)-3,5-diethyl-5-[(2R)-2-ethylhex-3-enyl]furan-2-ylidene]acetate
CID 162878274
dimethyl 2-[(E)-hept-3-en-2-yl]propanedioate
CID 134981164
methyl 2-[(5R)-3,5-diethyl-5-[(4S)-2-ethyl-4-hydroxyhex-2-enyl]furan-2-ylidene]acetate
CID 162939182
methyl (E,3S)-2-methylidene-3-triethylsilyloxyoct-4-enoate
CID 125493207
methyl deca-2,4,6-trienoate
CID 57131946
[(E)-1-oxo-1-phenylhept-3-en-2-yl] acetate
CID 15652317
methyl (E)-2-formamidohept-3-enoate
CID 19764893
methyl (E)-hept-2-enoate
CID 5368087
(E)-6-ethylundec-4-ene
CID 140796673
methyl (2Z,5Z,8Z,11Z,14Z,17Z)-icosa-2,5,8,11,14,17-hexaenoate
CID 10734062
methyl [(E)-oct-4-enyl] carbonate
CID 118976612
dimethyl (2E,5E)-hepta-2,5-dienedioate
CID 23523209

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-4-ethyl-2-[(2R)-2-ethylhept-3-enyl]-2H-furan-5-ylidene]acetate?
The IUPAC name of methyl 2-[(2R)-4-ethyl-2-[(2R)-2-ethylhept-3-enyl]-2H-furan-5-ylidene]acetate (CID 163103082) is methyl 2-[(2R)-4-ethyl-2-[(2R)-2-ethylhept-3-enyl]-2H-furan-5-ylidene]acetate.
What is the SMILES notation for methyl 2-[(2R)-4-ethyl-2-[(2R)-2-ethylhept-3-enyl]-2H-furan-5-ylidene]acetate?
The canonical SMILES for methyl 2-[(2R)-4-ethyl-2-[(2R)-2-ethylhept-3-enyl]-2H-furan-5-ylidene]acetate is CCCC=C[C@H](CC)C[C@@H]1C=C(CC)C(=CC(=O)OC)O1.
What is the InChIKey of methyl 2-[(2R)-4-ethyl-2-[(2R)-2-ethylhept-3-enyl]-2H-furan-5-ylidene]acetate?
The InChIKey is VEFWVOKQOAMEEI-GOEBONIOSA-N. The full InChI is InChI=1S/C18H28O3/c1-5-8-9-10-14(6-2)11-16-12-15(7-3)17(21-16)13-18(19)20-4/h9-10,12-14,16H,5-8,11H2,1-4H3/t14-,16+/m0/s1.
What are the key properties of methyl 2-[(2R)-4-ethyl-2-[(2R)-2-ethylhept-3-enyl]-2H-furan-5-ylidene]acetate?
methyl 2-[(2R)-4-ethyl-2-[(2R)-2-ethylhept-3-enyl]-2H-furan-5-ylidene]acetate has a molecular weight of 292.42 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-4-ethyl-2-[(2R)-2-ethylhept-3-enyl]-2H-furan-5-ylidene]acetate is sourced from PubChem (CID 163103082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).