methyl 2-(penta-2,3-dienoxymethyl)benzoate

C14H16O3 — CID 10082663

IUPACmethyl 2-(penta-2,3-dienoxymethyl)benzoate
SMILESCC=C=CCOCc1ccccc1C(=O)OC
InChIInChI=1S/C14H16O3/c1-3-4-7-10-17-11-12-8-5-6-9-13(12)14(15)16-2/h3,5-9H,10-11H2,1-2H3
InChIKeyUYLHFUPNTQMDCE-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.72
Rot. Bonds5

About methyl 2-(penta-2,3-dienoxymethyl)benzoate

methyl 2-(penta-2,3-dienoxymethyl)benzoate (PubChem CID 10082663) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 2-(penta-2,3-dienoxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(penta-2,3-dienoxymethyl)benzoate
PubChem CID10082663
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Namemethyl 2-(penta-2,3-dienoxymethyl)benzoate
SMILESCC=C=CCOCc1ccccc1C(=O)OC
InChIInChI=1S/C14H16O3/c1-3-4-7-10-17-11-12-8-5-6-9-13(12)14(15)16-2/h3,5-9H,10-11H2,1-2H3
InChIKeyUYLHFUPNTQMDCE-UHFFFAOYSA-N
XLogP2.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-prop-2-enoxyethoxymethyl)benzoate
CID 145437677
ethane;methyl 2-(4-prop-2-enoxybutoxymethyl)benzoate
CID 145437949
2-O-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 58658121
methyl 2-(propanoyloxymethyl)benzoate
CID 20717774
ethane;methyl 2-(bromomethyl)benzoate
CID 90979154
ethane;methyl 2-(bromomethyl)benzoate
CID 90986523
methyl 2-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]benzoate
CID 134275170
methyl 2-(2-azidoethoxymethyl)benzoate
CID 170346138
methyl 2-[(2-methoxyphenoxy)methyl]benzoate
CID 82975589
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate
CID 82969793
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352

Frequently Asked Questions

What is the IUPAC name of methyl 2-(penta-2,3-dienoxymethyl)benzoate?
The IUPAC name of methyl 2-(penta-2,3-dienoxymethyl)benzoate (CID 10082663) is methyl 2-(penta-2,3-dienoxymethyl)benzoate.
What is the SMILES notation for methyl 2-(penta-2,3-dienoxymethyl)benzoate?
The canonical SMILES for methyl 2-(penta-2,3-dienoxymethyl)benzoate is CC=C=CCOCc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-(penta-2,3-dienoxymethyl)benzoate?
The InChIKey is UYLHFUPNTQMDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-3-4-7-10-17-11-12-8-5-6-9-13(12)14(15)16-2/h3,5-9H,10-11H2,1-2H3.
What are the key properties of methyl 2-(penta-2,3-dienoxymethyl)benzoate?
methyl 2-(penta-2,3-dienoxymethyl)benzoate has a molecular weight of 232.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(penta-2,3-dienoxymethyl)benzoate is sourced from PubChem (CID 10082663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).