2-ethylhexyl 2,3-dimethoxy-3-phenylprop-2-enoate

C19H28O4 — CID 175186359

IUPAC2-ethylhexyl 2,3-dimethoxy-3-phenylprop-2-enoate
SMILESCCCCC(CC)COC(=O)C(OC)=C(OC)c1ccccc1
InChIInChI=1S/C19H28O4/c1-5-7-11-15(6-2)14-23-19(20)18(22-4)17(21-3)16-12-9-8-10-13-16/h8-10,12-13,15H,5-7,11,14H2,1-4H3
InChIKeyYLDKGJXCVCEFBP-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.41
Rot. Bonds10

About 2-ethylhexyl 2,3-dimethoxy-3-phenylprop-2-enoate

2-ethylhexyl 2,3-dimethoxy-3-phenylprop-2-enoate (PubChem CID 175186359) has the molecular formula C19H28O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-ethylhexyl 2,3-dimethoxy-3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-ethylhexyl 2,3-dimethoxy-3-phenylprop-2-enoate
PubChem CID175186359
Molecular FormulaC19H28O4
Molecular Weight320.43 g/mol
Exact Mass320.20
IUPAC Name2-ethylhexyl 2,3-dimethoxy-3-phenylprop-2-enoate
SMILESCCCCC(CC)COC(=O)C(OC)=C(OC)c1ccccc1
InChIInChI=1S/C19H28O4/c1-5-7-11-15(6-2)14-23-19(20)18(22-4)17(21-3)16-12-9-8-10-13-16/h8-10,12-13,15H,5-7,11,14H2,1-4H3
InChIKeyYLDKGJXCVCEFBP-UHFFFAOYSA-N
XLogP4.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2-[methoxy(phenyl)methylidene]octanoic acid
CID 150249445
2-ethylhexyl 2,3-diphenylprop-2-enoate
CID 66844667
benzoic acid;2-ethylhexyl benzoate
CID 90214866
2-ethylhexyl 2-cyano-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 66661267
2-ethylhexyl 2-methylprop-2-enoate;methyl 2-benzylprop-2-enoate
CID 174900892
benzoic acid;2-ethylhexyl 2-hydroxyoctadecanoate
CID 69493926
2-ethylhexyl 2-hydroxy-3-phenylpropanoate
CID 56974943
2,3-dihydroxypropyl 3-[2-(2-ethylhexanoyl)phenyl]-2,3-dimethoxyprop-2-enoate
CID 69294837
acetic acid;2-ethylhexyl acetate
CID 159619780
4-(2-ethylhexoxycarbonyl)penta-2,4-dienoic acid;styrene
CID 87319576
2-ethylhexyl 2-[4-(4-phenylphenyl)benzoyl]benzoate
CID 118478540
2-(benzoyloxymethyl)heptyl benzoate
CID 66728228

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2,3-dimethoxy-3-phenylprop-2-enoate?
The IUPAC name of 2-ethylhexyl 2,3-dimethoxy-3-phenylprop-2-enoate (CID 175186359) is 2-ethylhexyl 2,3-dimethoxy-3-phenylprop-2-enoate.
What is the SMILES notation for 2-ethylhexyl 2,3-dimethoxy-3-phenylprop-2-enoate?
The canonical SMILES for 2-ethylhexyl 2,3-dimethoxy-3-phenylprop-2-enoate is CCCCC(CC)COC(=O)C(OC)=C(OC)c1ccccc1.
What is the InChIKey of 2-ethylhexyl 2,3-dimethoxy-3-phenylprop-2-enoate?
The InChIKey is YLDKGJXCVCEFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O4/c1-5-7-11-15(6-2)14-23-19(20)18(22-4)17(21-3)16-12-9-8-10-13-16/h8-10,12-13,15H,5-7,11,14H2,1-4H3.
What are the key properties of 2-ethylhexyl 2,3-dimethoxy-3-phenylprop-2-enoate?
2-ethylhexyl 2,3-dimethoxy-3-phenylprop-2-enoate has a molecular weight of 320.43 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2,3-dimethoxy-3-phenylprop-2-enoate is sourced from PubChem (CID 175186359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).