dimethyl 5-methylidenenonanedioate

C12H20O4 — CID 121012075

IUPACdimethyl 5-methylidenenonanedioate
SMILESC=C(CCCC(=O)OC)CCCC(=O)OC
InChIInChI=1S/C12H20O4/c1-10(6-4-8-11(13)15-2)7-5-9-12(14)16-3/h1,4-9H2,2-3H3
InChIKeyGITAUVMUXFBSTE-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.23
Rot. Bonds8

About dimethyl 5-methylidenenonanedioate

dimethyl 5-methylidenenonanedioate (PubChem CID 121012075) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is dimethyl 5-methylidenenonanedioate.

Molecular Properties

Compound Namedimethyl 5-methylidenenonanedioate
PubChem CID121012075
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Namedimethyl 5-methylidenenonanedioate
SMILESC=C(CCCC(=O)OC)CCCC(=O)OC
InChIInChI=1S/C12H20O4/c1-10(6-4-8-11(13)15-2)7-5-9-12(14)16-3/h1,4-9H2,2-3H3
InChIKeyGITAUVMUXFBSTE-UHFFFAOYSA-N
XLogP2.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 4-methylidenedecanedioate
CID 10490360
CID 155932042
CID 155932042
methyl 10-methylidenehexadecanoate
CID 87398703
dimethyl pentanedioate;hydrochloride
CID 175168861
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
methyl 5-methoxy-5-sulfanylidenepentanoate
CID 54249997
methyl 6-methylhept-6-enoate
CID 12590016
dimethyl hexanedioate;molecular hydrogen
CID 173272620

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-methylidenenonanedioate?
The IUPAC name of dimethyl 5-methylidenenonanedioate (CID 121012075) is dimethyl 5-methylidenenonanedioate.
What is the SMILES notation for dimethyl 5-methylidenenonanedioate?
The canonical SMILES for dimethyl 5-methylidenenonanedioate is C=C(CCCC(=O)OC)CCCC(=O)OC.
What is the InChIKey of dimethyl 5-methylidenenonanedioate?
The InChIKey is GITAUVMUXFBSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-10(6-4-8-11(13)15-2)7-5-9-12(14)16-3/h1,4-9H2,2-3H3.
What are the key properties of dimethyl 5-methylidenenonanedioate?
dimethyl 5-methylidenenonanedioate has a molecular weight of 228.29 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-methylidenenonanedioate is sourced from PubChem (CID 121012075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).