diethyl 2-[(4E)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate

C20H32O4 — CID 102307777

IUPACdiethyl 2-[(4E)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate
SMILESC=C(C/C=C(\C)CCC=C(C)C)CC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C20H32O4/c1-7-23-19(21)18(20(22)24-8-2)14-17(6)13-12-16(5)11-9-10-15(3)4/h10,12,18H,6-9,11,13-14H2,1-5H3/b16-12+
InChIKeyRSJVFFFUBSUBPP-FOWTUZBSSA-N
MW336.47 g/mol
LogP4.76
Rot. Bonds11

About diethyl 2-[(4E)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate

diethyl 2-[(4E)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate (PubChem CID 102307777) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is diethyl 2-[(4E)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(4E)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate
PubChem CID102307777
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Namediethyl 2-[(4E)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate
SMILESC=C(C/C=C(\C)CCC=C(C)C)CC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C20H32O4/c1-7-23-19(21)18(20(22)24-8-2)14-17(6)13-12-16(5)11-9-10-15(3)4/h10,12,18H,6-9,11,13-14H2,1-5H3/b16-12+
InChIKeyRSJVFFFUBSUBPP-FOWTUZBSSA-N
XLogP4.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(4E)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate?
The IUPAC name of diethyl 2-[(4E)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate (CID 102307777) is diethyl 2-[(4E)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate.
What is the SMILES notation for diethyl 2-[(4E)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate?
The canonical SMILES for diethyl 2-[(4E)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate is C=C(C/C=C(\C)CCC=C(C)C)CC(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-[(4E)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate?
The InChIKey is RSJVFFFUBSUBPP-FOWTUZBSSA-N. The full InChI is InChI=1S/C20H32O4/c1-7-23-19(21)18(20(22)24-8-2)14-17(6)13-12-16(5)11-9-10-15(3)4/h10,12,18H,6-9,11,13-14H2,1-5H3/b16-12+.
What are the key properties of diethyl 2-[(4E)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate?
diethyl 2-[(4E)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate has a molecular weight of 336.47 g/mol, XLogP of 4.76, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(4E)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate is sourced from PubChem (CID 102307777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).