[(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate

C20H34O8 — CID 53362387

IUPAC[(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate
SMILESC=CC[C@H](/C=C/C[C@@H](OCOC)[C@H](OCOC)[C@@H](C)OCOC)OC(=O)C=C
InChIInChI=1S/C20H34O8/c1-7-10-17(28-19(21)8-2)11-9-12-18(26-14-23-5)20(27-15-24-6)16(3)25-13-22-4/h7-9,11,16-18,20H,1-2,10,12-15H2,3-6H3/b11-9+/t16-,17-,18-,20-/m1/s1
InChIKeyJZSDHPSXRDTBLN-QSMSFLDSSA-N
MW402.48 g/mol
LogP2.59
Rot. Bonds18

About [(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate

[(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate (PubChem CID 53362387) has the molecular formula C20H34O8 and a molecular weight of 402.48 g/mol. Its IUPAC name is [(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate.

Molecular Properties

Compound Name[(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate
PubChem CID53362387
Molecular FormulaC20H34O8
Molecular Weight402.48 g/mol
Exact Mass402.23
IUPAC Name[(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate
SMILESC=CC[C@H](/C=C/C[C@@H](OCOC)[C@H](OCOC)[C@@H](C)OCOC)OC(=O)C=C
InChIInChI=1S/C20H34O8/c1-7-10-17(28-19(21)8-2)11-9-12-18(26-14-23-5)20(27-15-24-6)16(3)25-13-22-4/h7-9,11,16-18,20H,1-2,10,12-15H2,3-6H3/b11-9+/t16-,17-,18-,20-/m1/s1
InChIKeyJZSDHPSXRDTBLN-QSMSFLDSSA-N
XLogP2.59
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate 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

[(2S,3S)-2-[(Z,3R)-3-acetyloxyhept-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] acetate
CID 10403120
Hyptolide
CID 11485463
Pectinolide A
CID 10041041
Anamarine
CID 5477554
Spicigeroide
CID 10251859
(3-acetoxy-6-hex-5-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 388309
[(E,2S,3R,6R,7R)-3,6,7-triacetyloxy-7-[(2R)-6-oxo-2,3-dihydropyran-2-yl]hept-4-en-2-yl] acetate
CID 14757882
Synargentolide A
CID 44512486
[(E,2S,3R,4R)-3,4-diacetyloxy-7-[(2R)-6-oxo-2,3-dihydropyran-2-yl]hept-6-en-2-yl] acetate
CID 102316548
[(2S,3S)-6-oxo-2-[(Z,3S,4S,6R)-3,4,6-triacetyloxyhept-1-enyl]-2,3-dihydropyran-3-yl] acetate
CID 163059530
(3-acetoxy-6-undec-10-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 388310
[(2S,3S)-6-oxo-2-[(Z,3S,5R,6S)-3,5,6-triacetyloxyhept-1-enyl]-2,3-dihydropyran-3-yl] acetate
CID 11430236

Frequently Asked Questions

What is the IUPAC name of [(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate?
The IUPAC name of [(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate (CID 53362387) is [(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate.
What is the SMILES notation for [(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate?
The canonical SMILES for [(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate is C=CC[C@H](/C=C/C[C@@H](OCOC)[C@H](OCOC)[C@@H](C)OCOC)OC(=O)C=C.
What is the InChIKey of [(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate?
The InChIKey is JZSDHPSXRDTBLN-QSMSFLDSSA-N. The full InChI is InChI=1S/C20H34O8/c1-7-10-17(28-19(21)8-2)11-9-12-18(26-14-23-5)20(27-15-24-6)16(3)25-13-22-4/h7-9,11,16-18,20H,1-2,10,12-15H2,3-6H3/b11-9+/t16-,17-,18-,20-/m1/s1.
What are the key properties of [(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate?
[(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate has a molecular weight of 402.48 g/mol, XLogP of 2.59, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate is sourced from PubChem (CID 53362387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).