methyl 2-[3-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxiran-2-yl]acetate

C12H22O4 — CID 6636405

IUPACmethyl 2-[3-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxiran-2-yl]acetate
SMILESCOC(=O)CC1OC1[C@H](C)[C@@H](OC)C(C)C
InChIInChI=1S/C12H22O4/c1-7(2)11(15-5)8(3)12-9(16-12)6-10(13)14-4/h7-9,11-12H,6H2,1-5H3/t8-,9?,11+,12?/m1/s1
InChIKeyFCPKULATXBXMHU-IMXWASOLSA-N
MW230.30 g/mol
LogP1.62
Rot. Bonds6

About methyl 2-[3-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxiran-2-yl]acetate

methyl 2-[3-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxiran-2-yl]acetate (PubChem CID 6636405) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is methyl 2-[3-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxiran-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxiran-2-yl]acetate
PubChem CID6636405
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Namemethyl 2-[3-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxiran-2-yl]acetate
SMILESCOC(=O)CC1OC1[C@H](C)[C@@H](OC)C(C)C
InChIInChI=1S/C12H22O4/c1-7(2)11(15-5)8(3)12-9(16-12)6-10(13)14-4/h7-9,11-12H,6H2,1-5H3/t8-,9?,11+,12?/m1/s1
InChIKeyFCPKULATXBXMHU-IMXWASOLSA-N
XLogP1.62
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze methyl 2-[3-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxiran-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[(3R,4R,6S)-4-ethyl-6-[(2R)-2-[(2S,3S)-3-ethyloxiran-2-yl]butyl]-6-methyldioxan-3-yl]acetate
CID 11994133
methyl 2-[(3R,4R,6S)-4-ethyl-6-[(2R)-2-[(2R,3R)-3-ethyloxiran-2-yl]butyl]-6-methyldioxan-3-yl]acetate
CID 11994269
virginiamycin butanolide A
CID 131003
Diethyl tetrahydrofurfurylmalonate
CID 3015896
Virginiae butanolide A
CID 10036830
1,3-Dimethyl 2-((tetrahydro-2-furanyl)methyl)propanedioate
CID 15730339
2-Carboxy-5,7-dimethyl-4-octanolide
CID 131751113
methyl (2R,3S,5S)-2-(3-methoxy-3-oxopropyl)-5-propyloxolane-3-carboxylate
CID 137640565
(2R,3S,5S)-2-(2-carboxyethyl)-5-propyloxolane-3-carboxylic acid
CID 137659823
(3R,4R)-4-(hydroxymethyl)-3-[(1R)-1-hydroxy-5-methylhexyl]oxolan-2-one
CID 15625168
(2S,3R)-5-oxo-2-pentyloxolane-3-carboxylic acid
CID 10465390
methyl 2-[(2S,3S)-3-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxiran-2-yl]acetate
CID 9548050

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxiran-2-yl]acetate?
The IUPAC name of methyl 2-[3-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxiran-2-yl]acetate (CID 6636405) is methyl 2-[3-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxiran-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxiran-2-yl]acetate?
The canonical SMILES for methyl 2-[3-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxiran-2-yl]acetate is COC(=O)CC1OC1[C@H](C)[C@@H](OC)C(C)C.
What is the InChIKey of methyl 2-[3-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxiran-2-yl]acetate?
The InChIKey is FCPKULATXBXMHU-IMXWASOLSA-N. The full InChI is InChI=1S/C12H22O4/c1-7(2)11(15-5)8(3)12-9(16-12)6-10(13)14-4/h7-9,11-12H,6H2,1-5H3/t8-,9?,11+,12?/m1/s1.
What are the key properties of methyl 2-[3-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxiran-2-yl]acetate?
methyl 2-[3-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxiran-2-yl]acetate has a molecular weight of 230.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxiran-2-yl]acetate is sourced from PubChem (CID 6636405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).