(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-ol

C17H32O7 — CID 53362386

IUPAC(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-ol
SMILESC=CC[C@@H](O)/C=C/C[C@@H](OCOC)[C@H](OCOC)[C@@H](C)OCOC
InChIInChI=1S/C17H32O7/c1-6-8-15(18)9-7-10-16(23-12-20-4)17(24-13-21-5)14(2)22-11-19-3/h6-7,9,14-18H,1,8,10-13H2,2-5H3/b9-7+/t14-,15-,16-,17-/m1/s1
InChIKeyOHBAJKLXOCTJQV-JEPKMOIZSA-N
MW348.44 g/mol
LogP1.86
Rot. Bonds16

About (4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-ol

(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-ol (PubChem CID 53362386) has the molecular formula C17H32O7 and a molecular weight of 348.44 g/mol. Its IUPAC name is (4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-ol.

Molecular Properties

Compound Name(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-ol
PubChem CID53362386
Molecular FormulaC17H32O7
Molecular Weight348.44 g/mol
Exact Mass348.21
IUPAC Name(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-ol
SMILESC=CC[C@@H](O)/C=C/C[C@@H](OCOC)[C@H](OCOC)[C@@H](C)OCOC
InChIInChI=1S/C17H32O7/c1-6-8-15(18)9-7-10-16(23-12-20-4)17(24-13-21-5)14(2)22-11-19-3/h6-7,9,14-18H,1,8,10-13H2,2-5H3/b9-7+/t14-,15-,16-,17-/m1/s1
InChIKeyOHBAJKLXOCTJQV-JEPKMOIZSA-N
XLogP1.86
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-ol?
The IUPAC name of (4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-ol (CID 53362386) is (4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-ol.
What is the SMILES notation for (4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-ol?
The canonical SMILES for (4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-ol is C=CC[C@@H](O)/C=C/C[C@@H](OCOC)[C@H](OCOC)[C@@H](C)OCOC.
What is the InChIKey of (4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-ol?
The InChIKey is OHBAJKLXOCTJQV-JEPKMOIZSA-N. The full InChI is InChI=1S/C17H32O7/c1-6-8-15(18)9-7-10-16(23-12-20-4)17(24-13-21-5)14(2)22-11-19-3/h6-7,9,14-18H,1,8,10-13H2,2-5H3/b9-7+/t14-,15-,16-,17-/m1/s1.
What are the key properties of (4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-ol?
(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-ol has a molecular weight of 348.44 g/mol, XLogP of 1.86, 16 rotatable bonds, 1 hydrogen bond donors, and 7 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-ol is sourced from PubChem (CID 53362386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).