(2R)-2-[(2R)-2-hydroxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one

C12H16O5 — CID 11241916

IUPAC(2R)-2-[(2R)-2-hydroxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one
SMILESC#CC[C@@H](O)C[C@@H]1CC(OCOC)=CC(=O)O1
InChIInChI=1S/C12H16O5/c1-3-4-9(13)5-11-6-10(16-8-15-2)7-12(14)17-11/h1,7,9,11,13H,4-6,8H2,2H3/t9-,11-/m1/s1
InChIKeyCOEYUQYWKBUJNG-MWLCHTKSSA-N
MW240.25 g/mol
LogP0.58
Rot. Bonds6

About (2R)-2-[(2R)-2-hydroxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one

(2R)-2-[(2R)-2-hydroxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one (PubChem CID 11241916) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (2R)-2-[(2R)-2-hydroxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(2R)-2-hydroxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one
PubChem CID11241916
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(2R)-2-[(2R)-2-hydroxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one
SMILESC#CC[C@@H](O)C[C@@H]1CC(OCOC)=CC(=O)O1
InChIInChI=1S/C12H16O5/c1-3-4-9(13)5-11-6-10(16-8-15-2)7-12(14)17-11/h1,7,9,11,13H,4-6,8H2,2H3/t9-,11-/m1/s1
InChIKeyCOEYUQYWKBUJNG-MWLCHTKSSA-N
XLogP0.58
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(2S)-2-hydroxynonyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 102301597
6-[(2S)-2-hydroxyundecyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134930812
(5R,7R,9S,E)-Methyl 5-hydroxy-7,9-bis(methoxymethoxy)dec-2-enoate
CID 145864772
(-)-2,2-Dimethyl-6-(4-hydroxypentyl)-1,3-dioxin-4-one
CID 14559529
2-[(2S)-2-hydroxyhexyl]-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 9970261
6-[(2S)-2-hydroxyheptyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 10083097
6-[(2S)-2-hydroxyhexyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 10421304
6-[(4R)-4-hydroxy-2-oxohept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11161079
6-[(2R,4R)-2,4-dihydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11172827
6-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11199485
6-(2-Hydroxynonyl)-2,2-dimethyl-2H,4H-1,3-dioxin-4-one
CID 71361992
6-(2-Hydroxyundecyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 85779134

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-2-hydroxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(2R)-2-hydroxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one (CID 11241916) is (2R)-2-[(2R)-2-hydroxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(2R)-2-hydroxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(2R)-2-hydroxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one is C#CC[C@@H](O)C[C@@H]1CC(OCOC)=CC(=O)O1.
What is the InChIKey of (2R)-2-[(2R)-2-hydroxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one?
The InChIKey is COEYUQYWKBUJNG-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H16O5/c1-3-4-9(13)5-11-6-10(16-8-15-2)7-12(14)17-11/h1,7,9,11,13H,4-6,8H2,2H3/t9-,11-/m1/s1.
What are the key properties of (2R)-2-[(2R)-2-hydroxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one?
(2R)-2-[(2R)-2-hydroxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one has a molecular weight of 240.25 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-2-hydroxypent-4-ynyl]-4-(methoxymethoxy)-2,3-dihydropyran-6-one is sourced from PubChem (CID 11241916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).