dimethyl 2-methylidene-5-oxoheptanedioate

C10H14O5 — CID 146643852

IUPACdimethyl 2-methylidene-5-oxoheptanedioate
SMILESC=C(CCC(=O)CC(=O)OC)C(=O)OC
InChIInChI=1S/C10H14O5/c1-7(10(13)15-3)4-5-8(11)6-9(12)14-2/h1,4-6H2,2-3H3
InChIKeyHNDWWJYLACLLRD-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.63
Rot. Bonds6

About dimethyl 2-methylidene-5-oxoheptanedioate

dimethyl 2-methylidene-5-oxoheptanedioate (PubChem CID 146643852) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is dimethyl 2-methylidene-5-oxoheptanedioate.

Molecular Properties

Compound Namedimethyl 2-methylidene-5-oxoheptanedioate
PubChem CID146643852
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namedimethyl 2-methylidene-5-oxoheptanedioate
SMILESC=C(CCC(=O)CC(=O)OC)C(=O)OC
InChIInChI=1S/C10H14O5/c1-7(10(13)15-3)4-5-8(11)6-9(12)14-2/h1,4-6H2,2-3H3
InChIKeyHNDWWJYLACLLRD-UHFFFAOYSA-N
XLogP0.63
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;dimethyl 2-methylidenebutanedioate;hydride
CID 174338040
methyl 2-methylidene-4-methylperoxybutanoate
CID 59930840
methyl 2-methylidenehex-5-enoate
CID 12706152
hydron;methyl 2-methylidenebutanoate
CID 174760127
1-O-amino 4-O-methyl 2-methylidenebutanedioate
CID 163455319
methyl 3-oxoheptanoate
CID 546075
methyl 5-hydroxy-2-methylidenehexanoate
CID 57168869
dimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate
CID 156579745
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;dimethyl 2-methylidenebutanedioate
CID 131738461
3-methoxycarbonylbut-3-enoic acid
CID 4613903
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
methyl 4-methyl-3-methylidenepent-4-enoate
CID 89146578

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methylidene-5-oxoheptanedioate?
The IUPAC name of dimethyl 2-methylidene-5-oxoheptanedioate (CID 146643852) is dimethyl 2-methylidene-5-oxoheptanedioate.
What is the SMILES notation for dimethyl 2-methylidene-5-oxoheptanedioate?
The canonical SMILES for dimethyl 2-methylidene-5-oxoheptanedioate is C=C(CCC(=O)CC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-methylidene-5-oxoheptanedioate?
The InChIKey is HNDWWJYLACLLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-7(10(13)15-3)4-5-8(11)6-9(12)14-2/h1,4-6H2,2-3H3.
What are the key properties of dimethyl 2-methylidene-5-oxoheptanedioate?
dimethyl 2-methylidene-5-oxoheptanedioate has a molecular weight of 214.22 g/mol, XLogP of 0.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methylidene-5-oxoheptanedioate is sourced from PubChem (CID 146643852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).