dimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate

C11H16O5 — CID 15437509

IUPACdimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate
SMILESC=C=COCCCC(C(=O)OC)C(=O)OC
InChIInChI=1S/C11H16O5/c1-4-7-16-8-5-6-9(10(12)14-2)11(13)15-3/h7,9H,1,5-6,8H2,2-3H3
InChIKeyLYVLRYGUJFRSHG-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.04
Rot. Bonds7

About dimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate

dimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate (PubChem CID 15437509) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is dimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate
PubChem CID15437509
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namedimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate
SMILESC=C=COCCCC(C(=O)OC)C(=O)OC
InChIInChI=1S/C11H16O5/c1-4-7-16-8-5-6-9(10(12)14-2)11(13)15-3/h7,9H,1,5-6,8H2,2-3H3
InChIKeyLYVLRYGUJFRSHG-UHFFFAOYSA-N
XLogP1.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetramethyl pentane-1,1,5,5-tetracarboxylate
CID 2266639
tetramethyl nona-7,8-diene-1,1,5,5-tetracarboxylate
CID 135072670
dimethyl 2-dodecylpropanedioate
CID 158514957
5-ethoxy-2-methoxycarbonylpentanoic acid
CID 103973323
dimethyl 2-(3-methylbutyl)propanedioate
CID 12885826
methyl 5-chloro-2-hydroxypentanoate
CID 55302399
dimethyl 2-(3-phenylmethoxypropyl)propanedioate
CID 170992106
dimethyl 2-(4-methylpent-3-enyl)propanedioate
CID 71348601
dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate
CID 103972473
dimethyl 2-hepta-3,4-dienylpropanedioate
CID 121009606
dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate
CID 155933233
methyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate
CID 134470243

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate?
The IUPAC name of dimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate (CID 15437509) is dimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate.
What is the SMILES notation for dimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate?
The canonical SMILES for dimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate is C=C=COCCCC(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate?
The InChIKey is LYVLRYGUJFRSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-4-7-16-8-5-6-9(10(12)14-2)11(13)15-3/h7,9H,1,5-6,8H2,2-3H3.
What are the key properties of dimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate?
dimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate has a molecular weight of 228.24 g/mol, XLogP of 1.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate is sourced from PubChem (CID 15437509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).