[(2R)-3-acetyloxy-2-hydroxyhex-5-ynyl] acetate

C10H14O5 — CID 89181582

IUPAC[(2R)-3-acetyloxy-2-hydroxyhex-5-ynyl] acetate
SMILESC#CCC(OC(C)=O)[C@H](O)COC(C)=O
InChIInChI=1S/C10H14O5/c1-4-5-10(15-8(3)12)9(13)6-14-7(2)11/h1,9-10,13H,5-6H2,2-3H3/t9-,10?/m1/s1
InChIKeyBEQDDJNBVJWVPF-YHMJZVADSA-N
MW214.22 g/mol
LogP-0.13
Rot. Bonds5

About [(2R)-3-acetyloxy-2-hydroxyhex-5-ynyl] acetate

[(2R)-3-acetyloxy-2-hydroxyhex-5-ynyl] acetate (PubChem CID 89181582) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is [(2R)-3-acetyloxy-2-hydroxyhex-5-ynyl] acetate.

Molecular Properties

Compound Name[(2R)-3-acetyloxy-2-hydroxyhex-5-ynyl] acetate
PubChem CID89181582
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name[(2R)-3-acetyloxy-2-hydroxyhex-5-ynyl] acetate
SMILESC#CCC(OC(C)=O)[C@H](O)COC(C)=O
InChIInChI=1S/C10H14O5/c1-4-5-10(15-8(3)12)9(13)6-14-7(2)11/h1,9-10,13H,5-6H2,2-3H3/t9-,10?/m1/s1
InChIKeyBEQDDJNBVJWVPF-YHMJZVADSA-N
XLogP-0.13
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S)-3-acetyloxy-2-hydroxy-5,6-dioxoheptyl] acetate
CID 87414854
(3,4,5,6-tetraacetyloxy-2-hydroxyhexyl) acetate
CID 123857051
[(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate
CID 102116245
1-aminopent-4-yn-2-yl acetate
CID 88882221
[(2S,3S,4R,5S,6R,7S)-2,3,4,5,6,7,8-heptaacetyloxyoctyl] acetate
CID 10907981
(5,6-diacetyloxy-2,3,4-trimethoxyhexyl) acetate
CID 538776
[(2S,3R,4R,5R)-2,3,4-triacetyloxy-5,6-dihydroxyhexyl] acetate
CID 87557308
(2,4-diacetyloxy-3,5-dimethoxypentyl) acetate
CID 539466
[(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-tetrahydroxyhexyl] acetate
CID 102116227
2,3,4-triacetyloxybutanoic acid
CID 77215762
[(2R,3S,4R,7R,8S,9R)-2,3,4,7,8,9,10-heptaacetyloxydecyl] acetate
CID 101457438
[(2R,3S,4R)-3-acetyloxy-2,4-dihydroxy-6-oxohexyl] acetate
CID 86654838

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-acetyloxy-2-hydroxyhex-5-ynyl] acetate?
The IUPAC name of [(2R)-3-acetyloxy-2-hydroxyhex-5-ynyl] acetate (CID 89181582) is [(2R)-3-acetyloxy-2-hydroxyhex-5-ynyl] acetate.
What is the SMILES notation for [(2R)-3-acetyloxy-2-hydroxyhex-5-ynyl] acetate?
The canonical SMILES for [(2R)-3-acetyloxy-2-hydroxyhex-5-ynyl] acetate is C#CCC(OC(C)=O)[C@H](O)COC(C)=O.
What is the InChIKey of [(2R)-3-acetyloxy-2-hydroxyhex-5-ynyl] acetate?
The InChIKey is BEQDDJNBVJWVPF-YHMJZVADSA-N. The full InChI is InChI=1S/C10H14O5/c1-4-5-10(15-8(3)12)9(13)6-14-7(2)11/h1,9-10,13H,5-6H2,2-3H3/t9-,10?/m1/s1.
What are the key properties of [(2R)-3-acetyloxy-2-hydroxyhex-5-ynyl] acetate?
[(2R)-3-acetyloxy-2-hydroxyhex-5-ynyl] acetate has a molecular weight of 214.22 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-acetyloxy-2-hydroxyhex-5-ynyl] acetate is sourced from PubChem (CID 89181582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).