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

C19H26O3 — CID 45114266

IUPACmethyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate
SMILESCOC(=O)[C@H](OC/C=C(/C)CCC=C(C)C)c1ccccc1
InChIInChI=1S/C19H26O3/c1-15(2)9-8-10-16(3)13-14-22-18(19(20)21-4)17-11-6-5-7-12-17/h5-7,9,11-13,18H,8,10,14H2,1-4H3/b16-13-/t18-/m1/s1
InChIKeyQGIOVYVYMKSSOB-BBLCHGJFSA-N
MW302.41 g/mol
LogP4.61
Rot. Bonds8

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

methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate (PubChem CID 45114266) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate
PubChem CID45114266
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Namemethyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate
SMILESCOC(=O)[C@H](OC/C=C(/C)CCC=C(C)C)c1ccccc1
InChIInChI=1S/C19H26O3/c1-15(2)9-8-10-16(3)13-14-22-18(19(20)21-4)17-11-6-5-7-12-17/h5-7,9,11-13,18H,8,10,14H2,1-4H3/b16-13-/t18-/m1/s1
InChIKeyQGIOVYVYMKSSOB-BBLCHGJFSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-phenyl-2-prop-2-enoxyacetate
CID 5324854
methyl 2-phenyl-2-prop-2-enoxyacetate
CID 13341026
methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate
CID 58292406
3,7-dimethylocta-2,6-dienyl 2-oxo-2-phenylacetate
CID 140658272
[(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-yl] (2S)-2-methoxy-2-phenylacetate
CID 11058683
3-anilino-1-phenyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-1-one
CID 154720217
[(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate
CID 22035471
methyl (E)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]carbamoyl]-4-phenylpent-3-enoate
CID 170919326
(3Z)-4,8-dimethyl-1-phenylnona-3,7-dien-1-ol
CID 14027932
3,7-dimethylocta-2,6-dienyl 2-(methylcarbamoyl)benzoate
CID 72641597
methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate
CID 82353260
methyl 2-(3-aminopropoxy)-2-phenylacetate
CID 82352677

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate (CID 45114266) is methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate is COC(=O)[C@H](OC/C=C(/C)CCC=C(C)C)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate?
The InChIKey is QGIOVYVYMKSSOB-BBLCHGJFSA-N. The full InChI is InChI=1S/C19H26O3/c1-15(2)9-8-10-16(3)13-14-22-18(19(20)21-4)17-11-6-5-7-12-17/h5-7,9,11-13,18H,8,10,14H2,1-4H3/b16-13-/t18-/m1/s1.
What are the key properties of methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate?
methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate has a molecular weight of 302.41 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate is sourced from PubChem (CID 45114266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).