dimethyl 2,2,4,4-tetramethyl-6-methylideneheptanedioate

C14H24O4 — CID 20704205

IUPACdimethyl 2,2,4,4-tetramethyl-6-methylideneheptanedioate
SMILESC=C(CC(C)(C)CC(C)(C)C(=O)OC)C(=O)OC
InChIInChI=1S/C14H24O4/c1-10(11(15)17-6)8-13(2,3)9-14(4,5)12(16)18-7/h1,8-9H2,2-7H3
InChIKeyBSWVCVQAWKXFQF-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.72
Rot. Bonds6

About dimethyl 2,2,4,4-tetramethyl-6-methylideneheptanedioate

dimethyl 2,2,4,4-tetramethyl-6-methylideneheptanedioate (PubChem CID 20704205) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is dimethyl 2,2,4,4-tetramethyl-6-methylideneheptanedioate.

Molecular Properties

Compound Namedimethyl 2,2,4,4-tetramethyl-6-methylideneheptanedioate
PubChem CID20704205
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namedimethyl 2,2,4,4-tetramethyl-6-methylideneheptanedioate
SMILESC=C(CC(C)(C)CC(C)(C)C(=O)OC)C(=O)OC
InChIInChI=1S/C14H24O4/c1-10(11(15)17-6)8-13(2,3)9-14(4,5)12(16)18-7/h1,8-9H2,2-7H3
InChIKeyBSWVCVQAWKXFQF-UHFFFAOYSA-N
XLogP2.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,2,4,4-tetramethyl-6-methylideneheptanedioate?
The IUPAC name of dimethyl 2,2,4,4-tetramethyl-6-methylideneheptanedioate (CID 20704205) is dimethyl 2,2,4,4-tetramethyl-6-methylideneheptanedioate.
What is the SMILES notation for dimethyl 2,2,4,4-tetramethyl-6-methylideneheptanedioate?
The canonical SMILES for dimethyl 2,2,4,4-tetramethyl-6-methylideneheptanedioate is C=C(CC(C)(C)CC(C)(C)C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2,2,4,4-tetramethyl-6-methylideneheptanedioate?
The InChIKey is BSWVCVQAWKXFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-10(11(15)17-6)8-13(2,3)9-14(4,5)12(16)18-7/h1,8-9H2,2-7H3.
What are the key properties of dimethyl 2,2,4,4-tetramethyl-6-methylideneheptanedioate?
dimethyl 2,2,4,4-tetramethyl-6-methylideneheptanedioate has a molecular weight of 256.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,2,4,4-tetramethyl-6-methylideneheptanedioate is sourced from PubChem (CID 20704205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).