methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate

C15H28O6 — CID 134971265

IUPACmethyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate
SMILESCOC(=O)[C@H](O)[C@@H](OC(C)C)[C@H](C)C[C@@H]1COC(C)(C)O1
InChIInChI=1S/C15H28O6/c1-9(2)20-13(12(16)14(17)18-6)10(3)7-11-8-19-15(4,5)21-11/h9-13,16H,7-8H2,1-6H3/t10-,11-,12-,13+/m1/s1
InChIKeyNBOMOWJSHLOBCC-LPWJVIDDSA-N
MW304.38 g/mol
LogP1.49
Rot. Bonds7

About methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate

methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate (PubChem CID 134971265) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate.

Molecular Properties

Compound Namemethyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate
PubChem CID134971265
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Namemethyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate
SMILESCOC(=O)[C@H](O)[C@@H](OC(C)C)[C@H](C)C[C@@H]1COC(C)(C)O1
InChIInChI=1S/C15H28O6/c1-9(2)20-13(12(16)14(17)18-6)10(3)7-11-8-19-15(4,5)21-11/h9-13,16H,7-8H2,1-6H3/t10-,11-,12-,13+/m1/s1
InChIKeyNBOMOWJSHLOBCC-LPWJVIDDSA-N
XLogP1.49
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate with MolForge

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Related Compounds

(3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one
CID 10083252
(2S)-2-[(2S,3S,5R)-3,5-diethyl-5-pentyloxolan-2-yl]-2-hydroxyacetic acid
CID 127043555
(3S,5S)-5-(hydroxymethyl)-3-[(1R)-1-hydroxy-6-methylheptyl]oxolan-2-one
CID 23427905
(2R*,4S*)-2-((1'S*)-hydroxy-4'-methylpentyl)-4-(hydroxymethyl)butanolide
CID 38350557
5-(Hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one
CID 23930375
5-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoic acid
CID 56776374
Methyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-3-fluoro-2-hydroxy-5-methyloxane-2-carboxylate
CID 91144611
Fluoro 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypentanoate
CID 174514856
5-(Hydroxymethyl)-3-(1-hydroxy-4-methylpentyl)oxolan-2-one
CID 23872094
ethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 11299578
methyl (2R)-2-hydroxy-2-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate
CID 11736414
methyl (4S,5R)-5-((S)-sec-butyl)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11780740

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate?
The IUPAC name of methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate (CID 134971265) is methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate.
What is the SMILES notation for methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate?
The canonical SMILES for methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate is COC(=O)[C@H](O)[C@@H](OC(C)C)[C@H](C)C[C@@H]1COC(C)(C)O1.
What is the InChIKey of methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate?
The InChIKey is NBOMOWJSHLOBCC-LPWJVIDDSA-N. The full InChI is InChI=1S/C15H28O6/c1-9(2)20-13(12(16)14(17)18-6)10(3)7-11-8-19-15(4,5)21-11/h9-13,16H,7-8H2,1-6H3/t10-,11-,12-,13+/m1/s1.
What are the key properties of methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate?
methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate has a molecular weight of 304.38 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate is sourced from PubChem (CID 134971265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).