dimethyl 5-methylidene-6-oxoundecanedioate

C14H22O5 — CID 86058565

IUPACdimethyl 5-methylidene-6-oxoundecanedioate
SMILESC=C(CCCC(=O)OC)C(=O)CCCCC(=O)OC
InChIInChI=1S/C14H22O5/c1-11(7-6-10-14(17)19-3)12(15)8-4-5-9-13(16)18-2/h1,4-10H2,2-3H3
InChIKeyRUSMOWTYFFQEMV-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.19
Rot. Bonds10

About dimethyl 5-methylidene-6-oxoundecanedioate

dimethyl 5-methylidene-6-oxoundecanedioate (PubChem CID 86058565) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is dimethyl 5-methylidene-6-oxoundecanedioate.

Molecular Properties

Compound Namedimethyl 5-methylidene-6-oxoundecanedioate
PubChem CID86058565
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Namedimethyl 5-methylidene-6-oxoundecanedioate
SMILESC=C(CCCC(=O)OC)C(=O)CCCCC(=O)OC
InChIInChI=1S/C14H22O5/c1-11(7-6-10-14(17)19-3)12(15)8-4-5-9-13(16)18-2/h1,4-10H2,2-3H3
InChIKeyRUSMOWTYFFQEMV-UHFFFAOYSA-N
XLogP2.19
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Methyl 5-oxocyclopent-1-ene-1-heptanoate
CID 2777884
9-(Methoxycarbonyl)-9-decenoic acid
CID 23757109
Methyl 10-methylene-9-oxooctadecanoate
CID 14582211
Methyl 9-methylene-8-oxoheptadecanoate
CID 14582212
10-Methylidene-9-oxooctadecanoic acid
CID 163189932
9-Methylidene-8-oxoheptadecanoic acid
CID 163195811
10-Octylundec-10-enoic acid, methyl ester
CID 593519
Methyl 2-methylidenedecanoate
CID 12555036
Methyl 7-(3,5-dioxocyclopent-1-en-1-yl)heptanoate
CID 23240957
Methyl 5-methylidenenonanoate
CID 102395454
Ethyl 2-methylidenenonanoate
CID 10703126
Methyl 10-methylundec-10-enoate
CID 11218121

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-methylidene-6-oxoundecanedioate?
The IUPAC name of dimethyl 5-methylidene-6-oxoundecanedioate (CID 86058565) is dimethyl 5-methylidene-6-oxoundecanedioate.
What is the SMILES notation for dimethyl 5-methylidene-6-oxoundecanedioate?
The canonical SMILES for dimethyl 5-methylidene-6-oxoundecanedioate is C=C(CCCC(=O)OC)C(=O)CCCCC(=O)OC.
What is the InChIKey of dimethyl 5-methylidene-6-oxoundecanedioate?
The InChIKey is RUSMOWTYFFQEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-11(7-6-10-14(17)19-3)12(15)8-4-5-9-13(16)18-2/h1,4-10H2,2-3H3.
What are the key properties of dimethyl 5-methylidene-6-oxoundecanedioate?
dimethyl 5-methylidene-6-oxoundecanedioate has a molecular weight of 270.32 g/mol, XLogP of 2.19, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-methylidene-6-oxoundecanedioate is sourced from PubChem (CID 86058565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).