(1-carboxyoxy-5-methyl-8-phenylocta-1,3,5,7-tetraenyl) ethyl carbonate

C19H20O6 — CID 88683909

IUPAC(1-carboxyoxy-5-methyl-8-phenylocta-1,3,5,7-tetraenyl) ethyl carbonate
SMILESCCOC(=O)OC(=CC=CC(C)=CC=Cc1ccccc1)OC(=O)O
InChIInChI=1S/C19H20O6/c1-3-23-19(22)25-17(24-18(20)21)14-8-10-15(2)9-7-13-16-11-5-4-6-12-16/h4-14H,3H2,1-2H3,(H,20,21)
InChIKeyWUMWCZBLJRNSNQ-UHFFFAOYSA-N
MW344.36 g/mol
LogP4.91
Rot. Bonds7

About (1-carboxyoxy-5-methyl-8-phenylocta-1,3,5,7-tetraenyl) ethyl carbonate

(1-carboxyoxy-5-methyl-8-phenylocta-1,3,5,7-tetraenyl) ethyl carbonate (PubChem CID 88683909) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is (1-carboxyoxy-5-methyl-8-phenylocta-1,3,5,7-tetraenyl) ethyl carbonate.

Molecular Properties

Compound Name(1-carboxyoxy-5-methyl-8-phenylocta-1,3,5,7-tetraenyl) ethyl carbonate
PubChem CID88683909
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name(1-carboxyoxy-5-methyl-8-phenylocta-1,3,5,7-tetraenyl) ethyl carbonate
SMILESCCOC(=O)OC(=CC=CC(C)=CC=Cc1ccccc1)OC(=O)O
InChIInChI=1S/C19H20O6/c1-3-23-19(22)25-17(24-18(20)21)14-8-10-15(2)9-7-13-16-11-5-4-6-12-16/h4-14H,3H2,1-2H3,(H,20,21)
InChIKeyWUMWCZBLJRNSNQ-UHFFFAOYSA-N
XLogP4.91
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[1-carboxyoxy-6-(4-chlorophenyl)hexa-1,3,5-trienyl] ethyl carbonate
CID 88683455
(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
CID 618811
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
ethyl acetate;stilbene
CID 159556390
ethyl (3E,5E)-2-oxo-6-phenylhexa-3,5-dienoate
CID 10933281
ethyl acetate;(Z)-3-phenylprop-2-enoic acid
CID 174849368
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
ethyl carbamate;stilbene
CID 175156091
ethyl (NE)-N-[(2Z,4Z)-5-phenylpenta-2,4-dienylidene]carbamate
CID 177450107
ethane-1,2-diol;bis(2-methyl-5-phenylpenta-2,4-dienoic acid)
CID 173388438
ethyl (E)-2,4-dioxo-6-phenylhex-5-enoate
CID 5374346
ethyl (2Z,4E)-5-phenyl-2-(2,2,2-trifluoroacetyl)penta-2,4-dienoate
CID 11403770

Frequently Asked Questions

What is the IUPAC name of (1-carboxyoxy-5-methyl-8-phenylocta-1,3,5,7-tetraenyl) ethyl carbonate?
The IUPAC name of (1-carboxyoxy-5-methyl-8-phenylocta-1,3,5,7-tetraenyl) ethyl carbonate (CID 88683909) is (1-carboxyoxy-5-methyl-8-phenylocta-1,3,5,7-tetraenyl) ethyl carbonate.
What is the SMILES notation for (1-carboxyoxy-5-methyl-8-phenylocta-1,3,5,7-tetraenyl) ethyl carbonate?
The canonical SMILES for (1-carboxyoxy-5-methyl-8-phenylocta-1,3,5,7-tetraenyl) ethyl carbonate is CCOC(=O)OC(=CC=CC(C)=CC=Cc1ccccc1)OC(=O)O.
What is the InChIKey of (1-carboxyoxy-5-methyl-8-phenylocta-1,3,5,7-tetraenyl) ethyl carbonate?
The InChIKey is WUMWCZBLJRNSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-3-23-19(22)25-17(24-18(20)21)14-8-10-15(2)9-7-13-16-11-5-4-6-12-16/h4-14H,3H2,1-2H3,(H,20,21).
What are the key properties of (1-carboxyoxy-5-methyl-8-phenylocta-1,3,5,7-tetraenyl) ethyl carbonate?
(1-carboxyoxy-5-methyl-8-phenylocta-1,3,5,7-tetraenyl) ethyl carbonate has a molecular weight of 344.36 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carboxyoxy-5-methyl-8-phenylocta-1,3,5,7-tetraenyl) ethyl carbonate is sourced from PubChem (CID 88683909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).