methyl (3R)-5-acetyloxy-3-(methoxymethoxy)pentanoate

C10H18O6 — CID 131850966

IUPACmethyl (3R)-5-acetyloxy-3-(methoxymethoxy)pentanoate
SMILESCOCO[C@H](CCOC(C)=O)CC(=O)OC
InChIInChI=1S/C10H18O6/c1-8(11)15-5-4-9(16-7-13-2)6-10(12)14-3/h9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyPJOGEOUKVAVMDD-SECBINFHSA-N
MW234.25 g/mol
LogP0.49
Rot. Bonds8

About methyl (3R)-5-acetyloxy-3-(methoxymethoxy)pentanoate

methyl (3R)-5-acetyloxy-3-(methoxymethoxy)pentanoate (PubChem CID 131850966) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl (3R)-5-acetyloxy-3-(methoxymethoxy)pentanoate.

Molecular Properties

Compound Namemethyl (3R)-5-acetyloxy-3-(methoxymethoxy)pentanoate
PubChem CID131850966
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Namemethyl (3R)-5-acetyloxy-3-(methoxymethoxy)pentanoate
SMILESCOCO[C@H](CCOC(C)=O)CC(=O)OC
InChIInChI=1S/C10H18O6/c1-8(11)15-5-4-9(16-7-13-2)6-10(12)14-3/h9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyPJOGEOUKVAVMDD-SECBINFHSA-N
XLogP0.49
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-5-acetyloxy-3-(methoxymethoxy)pentanoate?
The IUPAC name of methyl (3R)-5-acetyloxy-3-(methoxymethoxy)pentanoate (CID 131850966) is methyl (3R)-5-acetyloxy-3-(methoxymethoxy)pentanoate.
What is the SMILES notation for methyl (3R)-5-acetyloxy-3-(methoxymethoxy)pentanoate?
The canonical SMILES for methyl (3R)-5-acetyloxy-3-(methoxymethoxy)pentanoate is COCO[C@H](CCOC(C)=O)CC(=O)OC.
What is the InChIKey of methyl (3R)-5-acetyloxy-3-(methoxymethoxy)pentanoate?
The InChIKey is PJOGEOUKVAVMDD-SECBINFHSA-N. The full InChI is InChI=1S/C10H18O6/c1-8(11)15-5-4-9(16-7-13-2)6-10(12)14-3/h9H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of methyl (3R)-5-acetyloxy-3-(methoxymethoxy)pentanoate?
methyl (3R)-5-acetyloxy-3-(methoxymethoxy)pentanoate has a molecular weight of 234.25 g/mol, XLogP of 0.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-5-acetyloxy-3-(methoxymethoxy)pentanoate is sourced from PubChem (CID 131850966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).