methyl (2Z)-2-[(5R)-3-ethyl-5-[(E,2R)-2-ethylhex-3-enyl]-5-methylfuran-2-ylidene]acetate

C18H28O3 — CID 11522149

IUPACmethyl (2Z)-2-[(5R)-3-ethyl-5-[(E,2R)-2-ethylhex-3-enyl]-5-methylfuran-2-ylidene]acetate
SMILESCC/C=C/[C@H](CC)C[C@]1(C)C=C(CC)/C(=C/C(=O)OC)O1
InChIInChI=1S/C18H28O3/c1-6-9-10-14(7-2)12-18(4)13-15(8-3)16(21-18)11-17(19)20-5/h9-11,13-14H,6-8,12H2,1-5H3/b10-9+,16-11-/t14-,18+/m0/s1
InChIKeyAZOIPHHKXZQWIE-YREDLYEQSA-N
MW292.42 g/mol
LogP4.55
Rot. Bonds7

About methyl (2Z)-2-[(5R)-3-ethyl-5-[(E,2R)-2-ethylhex-3-enyl]-5-methylfuran-2-ylidene]acetate

methyl (2Z)-2-[(5R)-3-ethyl-5-[(E,2R)-2-ethylhex-3-enyl]-5-methylfuran-2-ylidene]acetate (PubChem CID 11522149) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is methyl (2Z)-2-[(5R)-3-ethyl-5-[(E,2R)-2-ethylhex-3-enyl]-5-methylfuran-2-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(5R)-3-ethyl-5-[(E,2R)-2-ethylhex-3-enyl]-5-methylfuran-2-ylidene]acetate
PubChem CID11522149
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Namemethyl (2Z)-2-[(5R)-3-ethyl-5-[(E,2R)-2-ethylhex-3-enyl]-5-methylfuran-2-ylidene]acetate
SMILESCC/C=C/[C@H](CC)C[C@]1(C)C=C(CC)/C(=C/C(=O)OC)O1
InChIInChI=1S/C18H28O3/c1-6-9-10-14(7-2)12-18(4)13-15(8-3)16(21-18)11-17(19)20-5/h9-11,13-14H,6-8,12H2,1-5H3/b10-9+,16-11-/t14-,18+/m0/s1
InChIKeyAZOIPHHKXZQWIE-YREDLYEQSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(5R)-3-ethyl-5-[(E,2R)-2-ethylhex-3-enyl]-5-methylfuran-2-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[(5R)-3-ethyl-5-[(E,2R)-2-ethylhex-3-enyl]-5-methylfuran-2-ylidene]acetate (CID 11522149) is methyl (2Z)-2-[(5R)-3-ethyl-5-[(E,2R)-2-ethylhex-3-enyl]-5-methylfuran-2-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[(5R)-3-ethyl-5-[(E,2R)-2-ethylhex-3-enyl]-5-methylfuran-2-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[(5R)-3-ethyl-5-[(E,2R)-2-ethylhex-3-enyl]-5-methylfuran-2-ylidene]acetate is CC/C=C/[C@H](CC)C[C@]1(C)C=C(CC)/C(=C/C(=O)OC)O1.
What is the InChIKey of methyl (2Z)-2-[(5R)-3-ethyl-5-[(E,2R)-2-ethylhex-3-enyl]-5-methylfuran-2-ylidene]acetate?
The InChIKey is AZOIPHHKXZQWIE-YREDLYEQSA-N. The full InChI is InChI=1S/C18H28O3/c1-6-9-10-14(7-2)12-18(4)13-15(8-3)16(21-18)11-17(19)20-5/h9-11,13-14H,6-8,12H2,1-5H3/b10-9+,16-11-/t14-,18+/m0/s1.
What are the key properties of methyl (2Z)-2-[(5R)-3-ethyl-5-[(E,2R)-2-ethylhex-3-enyl]-5-methylfuran-2-ylidene]acetate?
methyl (2Z)-2-[(5R)-3-ethyl-5-[(E,2R)-2-ethylhex-3-enyl]-5-methylfuran-2-ylidene]acetate has a molecular weight of 292.42 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(5R)-3-ethyl-5-[(E,2R)-2-ethylhex-3-enyl]-5-methylfuran-2-ylidene]acetate is sourced from PubChem (CID 11522149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).