diethyl 6-methylideneundecanedioate

C16H28O4 — CID 57123077

IUPACdiethyl 6-methylideneundecanedioate
SMILESC=C(CCCCC(=O)OCC)CCCCC(=O)OCC
InChIInChI=1S/C16H28O4/c1-4-19-15(17)12-8-6-10-14(3)11-7-9-13-16(18)20-5-2/h3-13H2,1-2H3
InChIKeyUCAIFSMYCVSAKP-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.79
Rot. Bonds12

About diethyl 6-methylideneundecanedioate

diethyl 6-methylideneundecanedioate (PubChem CID 57123077) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is diethyl 6-methylideneundecanedioate.

Molecular Properties

Compound Namediethyl 6-methylideneundecanedioate
PubChem CID57123077
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Namediethyl 6-methylideneundecanedioate
SMILESC=C(CCCCC(=O)OCC)CCCCC(=O)OCC
InChIInChI=1S/C16H28O4/c1-4-19-15(17)12-8-6-10-14(3)11-7-9-13-16(18)20-5-2/h3-13H2,1-2H3
InChIKeyUCAIFSMYCVSAKP-UHFFFAOYSA-N
XLogP3.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl hexanedioate
CID 160747628
diethyl icosanedioate
CID 5058538
sodium;diethyl decanedioate;hydride
CID 173076435
ethyl 10-fluoroundec-10-enoate
CID 11791034
ethyl 5-prop-1-en-2-yloxypentanoate
CID 87413357
ethyl hexanoate;zirconium(2+)
CID 161370000
ethyl hexanoate;mercury
CID 174624991
ethyl hexanoate;tungsten
CID 175314088
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
ethyl hexanoate;titanium
CID 87406037
6-O-(2-ethoxy-2-oxoethyl) 1-O-ethyl hexanedioate
CID 155066194

Frequently Asked Questions

What is the IUPAC name of diethyl 6-methylideneundecanedioate?
The IUPAC name of diethyl 6-methylideneundecanedioate (CID 57123077) is diethyl 6-methylideneundecanedioate.
What is the SMILES notation for diethyl 6-methylideneundecanedioate?
The canonical SMILES for diethyl 6-methylideneundecanedioate is C=C(CCCCC(=O)OCC)CCCCC(=O)OCC.
What is the InChIKey of diethyl 6-methylideneundecanedioate?
The InChIKey is UCAIFSMYCVSAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-4-19-15(17)12-8-6-10-14(3)11-7-9-13-16(18)20-5-2/h3-13H2,1-2H3.
What are the key properties of diethyl 6-methylideneundecanedioate?
diethyl 6-methylideneundecanedioate has a molecular weight of 284.40 g/mol, XLogP of 3.79, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6-methylideneundecanedioate is sourced from PubChem (CID 57123077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).