[(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] acetate

C19H28O10 — CID 15690705

IUPAC[(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] acetate
SMILESC=CCC(C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)OC(C)=O
InChIInChI=1S/C19H28O10/c1-7-8-16(26-12(3)21)9-17(27-13(4)22)19(29-15(6)24)18(28-14(5)23)10-25-11(2)20/h7,16-19H,1,8-10H2,2-6H3/t16?,17-,18-,19+/m1/s1
InChIKeyXVCFNQOAWPXNCS-MSRNWOCLSA-N
MW416.42 g/mol
LogP1.24
Rot. Bonds12

About [(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] acetate

[(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] acetate (PubChem CID 15690705) has the molecular formula C19H28O10 and a molecular weight of 416.42 g/mol. Its IUPAC name is [(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] acetate.

Molecular Properties

Compound Name[(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] acetate
PubChem CID15690705
Molecular FormulaC19H28O10
Molecular Weight416.42 g/mol
Exact Mass416.17
IUPAC Name[(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] acetate
SMILESC=CCC(C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)OC(C)=O
InChIInChI=1S/C19H28O10/c1-7-8-16(26-12(3)21)9-17(27-13(4)22)19(29-15(6)24)18(28-14(5)23)10-25-11(2)20/h7,16-19H,1,8-10H2,2-6H3/t16?,17-,18-,19+/m1/s1
InChIKeyXVCFNQOAWPXNCS-MSRNWOCLSA-N
XLogP1.24
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] 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

(2,3,4-triacetyloxy-6-oxohexyl) acetate
CID 559393
[(2R,3S,4R,7R,8S,9R)-2,3,4,7,8,9,10-heptaacetyloxydecyl] acetate
CID 101457438
[(2S,3S,4R,5S,6R,7S)-2,3,4,5,6,7,8-heptaacetyloxyoctyl] acetate
CID 10907981
[(2S,3R,4R)-2,3,4-triacetyloxy-5-hydroxypentyl] acetate
CID 10990808
[(2R,3R,4R)-2,3,4-triacetyloxy-5-amino-5-oxopentyl] acetate
CID 2729263
[(3S,4R)-3,4,5-triacetyloxy-2-(1-acetyloxyethoxy)pentyl] acetate
CID 89319583
[(2R,3S,4R)-3,4,5-triacetyloxy-2-methylpentyl] acetate
CID 11723388
[(2R,3R,4R,5S)-2,3,5,6-tetraacetyloxy-4-fluorohexyl] acetate
CID 22216924
[(2R,3R,4R,5S)-2,3,4,5-tetraacetyloxy-6-methoxyhexyl] acetate
CID 91751656
(3,4,5,6-tetraacetyloxy-2-hydroxyhexyl) acetate
CID 123857051
[(2R,3R,4S,5R)-2,3,4,5,6,6-hexaacetyloxyhexyl] acetate
CID 2728799
[(2S,3S,4S,5R)-2,3,4,5-tetraacetyloxy-6-oxohexyl] acetate
CID 97050225

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] acetate?
The IUPAC name of [(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] acetate (CID 15690705) is [(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] acetate.
What is the SMILES notation for [(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] acetate?
The canonical SMILES for [(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] acetate is C=CCC(C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)OC(C)=O.
What is the InChIKey of [(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] acetate?
The InChIKey is XVCFNQOAWPXNCS-MSRNWOCLSA-N. The full InChI is InChI=1S/C19H28O10/c1-7-8-16(26-12(3)21)9-17(27-13(4)22)19(29-15(6)24)18(28-14(5)23)10-25-11(2)20/h7,16-19H,1,8-10H2,2-6H3/t16?,17-,18-,19+/m1/s1.
What are the key properties of [(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] acetate?
[(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] acetate has a molecular weight of 416.42 g/mol, XLogP of 1.24, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] acetate is sourced from PubChem (CID 15690705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).