bis(2-butoxyethyl) 2-methylidenepropanedioate

C16H28O6 — CID 156690471

IUPACbis(2-butoxyethyl) 2-methylidenepropanedioate
SMILESC=C(C(=O)OCCOCCCC)C(=O)OCCOCCCC
InChIInChI=1S/C16H28O6/c1-4-6-8-19-10-12-21-15(17)14(3)16(18)22-13-11-20-9-7-5-2/h3-13H2,1-2H3
InChIKeyVVSDGUXNTPXEJB-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.26
Rot. Bonds14

About bis(2-butoxyethyl) 2-methylidenepropanedioate

bis(2-butoxyethyl) 2-methylidenepropanedioate (PubChem CID 156690471) has the molecular formula C16H28O6 and a molecular weight of 316.39 g/mol. Its IUPAC name is bis(2-butoxyethyl) 2-methylidenepropanedioate.

Molecular Properties

Compound Namebis(2-butoxyethyl) 2-methylidenepropanedioate
PubChem CID156690471
Molecular FormulaC16H28O6
Molecular Weight316.39 g/mol
Exact Mass316.19
IUPAC Namebis(2-butoxyethyl) 2-methylidenepropanedioate
SMILESC=C(C(=O)OCCOCCCC)C(=O)OCCOCCCC
InChIInChI=1S/C16H28O6/c1-4-6-8-19-10-12-21-15(17)14(3)16(18)22-13-11-20-9-7-5-2/h3-13H2,1-2H3
InChIKeyVVSDGUXNTPXEJB-UHFFFAOYSA-N
XLogP2.26
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze bis(2-butoxyethyl) 2-methylidenepropanedioate 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

bis[2-(2-butoxyethoxy)ethyl] oxalate
CID 3521781
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22247396
2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026
2-[2-(3-tributylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 140661842
2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate
CID 139816449
2-butoxycarbonylprop-2-enoic acid
CID 18618552
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87841701
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
CID 158130160
2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428192
2-[2-(3-trihexylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 123411078
1-O-decyl 4-O-octyl 2,3-dimethylidenebutanedioate
CID 139708320
dioctyl 2,3-dimethylidenebutanedioate
CID 140613144

Frequently Asked Questions

What is the IUPAC name of bis(2-butoxyethyl) 2-methylidenepropanedioate?
The IUPAC name of bis(2-butoxyethyl) 2-methylidenepropanedioate (CID 156690471) is bis(2-butoxyethyl) 2-methylidenepropanedioate.
What is the SMILES notation for bis(2-butoxyethyl) 2-methylidenepropanedioate?
The canonical SMILES for bis(2-butoxyethyl) 2-methylidenepropanedioate is C=C(C(=O)OCCOCCCC)C(=O)OCCOCCCC.
What is the InChIKey of bis(2-butoxyethyl) 2-methylidenepropanedioate?
The InChIKey is VVSDGUXNTPXEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O6/c1-4-6-8-19-10-12-21-15(17)14(3)16(18)22-13-11-20-9-7-5-2/h3-13H2,1-2H3.
What are the key properties of bis(2-butoxyethyl) 2-methylidenepropanedioate?
bis(2-butoxyethyl) 2-methylidenepropanedioate has a molecular weight of 316.39 g/mol, XLogP of 2.26, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butoxyethyl) 2-methylidenepropanedioate is sourced from PubChem (CID 156690471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).