methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate

C14H24O4 — CID 58292406

IUPACmethyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate
SMILESCOC(=O)[C@@H](CO)OC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C14H24O4/c1-11(2)6-5-7-12(3)8-9-18-13(10-15)14(16)17-4/h6,8,13,15H,5,7,9-10H2,1-4H3/b12-8-/t13-/m1/s1
InChIKeyMGTGRNCEVBBMHK-LLBKUYECSA-N
MW256.34 g/mol
LogP2.23
Rot. Bonds8

About methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate

methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate (PubChem CID 58292406) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate
PubChem CID58292406
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namemethyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate
SMILESCOC(=O)[C@@H](CO)OC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C14H24O4/c1-11(2)6-5-7-12(3)8-9-18-13(10-15)14(16)17-4/h6,8,13,15H,5,7,9-10H2,1-4H3/b12-8-/t13-/m1/s1
InChIKeyMGTGRNCEVBBMHK-LLBKUYECSA-N
XLogP2.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate with MolForge

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Related Compounds

methyl (4R)-5-hydroxy-2-oxo-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]pentanoate
CID 10832732
methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate
CID 45114266
dimethyl 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]propanedioate
CID 10597387
methyl (4Z)-2-acetyl-5,9-dimethyldeca-4,8-dienoate
CID 12742943
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] butanedioate
CID 57495010
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl acetate
CID 78421842
[(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate
CID 24837329
1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene
CID 140578450
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-[[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxoethyl]amino]acetate
CID 140995074
2,3-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propan-1-ol
CID 14556936
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] hexanedioate
CID 102530693
alumane;[(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
CID 173458280

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate?
The IUPAC name of methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate (CID 58292406) is methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate.
What is the SMILES notation for methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate?
The canonical SMILES for methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate is COC(=O)[C@@H](CO)OC/C=C(/C)CCC=C(C)C.
What is the InChIKey of methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate?
The InChIKey is MGTGRNCEVBBMHK-LLBKUYECSA-N. The full InChI is InChI=1S/C14H24O4/c1-11(2)6-5-7-12(3)8-9-18-13(10-15)14(16)17-4/h6,8,13,15H,5,7,9-10H2,1-4H3/b12-8-/t13-/m1/s1.
What are the key properties of methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate?
methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate has a molecular weight of 256.34 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate is sourced from PubChem (CID 58292406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).