dimethyl 3-[(1Z)-2,6-dimethylhepta-1,5-dienyl]cyclopent-3-ene-1,1-dicarboxylate

C18H26O4 — CID 135007259

IUPACdimethyl 3-[(1Z)-2,6-dimethylhepta-1,5-dienyl]cyclopent-3-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC=C(/C=C(/C)CCC=C(C)C)C1
InChIInChI=1S/C18H26O4/c1-13(2)7-6-8-14(3)11-15-9-10-18(12-15,16(19)21-4)17(20)22-5/h7,9,11H,6,8,10,12H2,1-5H3/b14-11-
InChIKeyOLGQGUUHMUQHAK-KAMYIIQDSA-N
MW306.40 g/mol
LogP3.73
Rot. Bonds6

About dimethyl 3-[(1Z)-2,6-dimethylhepta-1,5-dienyl]cyclopent-3-ene-1,1-dicarboxylate

dimethyl 3-[(1Z)-2,6-dimethylhepta-1,5-dienyl]cyclopent-3-ene-1,1-dicarboxylate (PubChem CID 135007259) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is dimethyl 3-[(1Z)-2,6-dimethylhepta-1,5-dienyl]cyclopent-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[(1Z)-2,6-dimethylhepta-1,5-dienyl]cyclopent-3-ene-1,1-dicarboxylate
PubChem CID135007259
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Namedimethyl 3-[(1Z)-2,6-dimethylhepta-1,5-dienyl]cyclopent-3-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC=C(/C=C(/C)CCC=C(C)C)C1
InChIInChI=1S/C18H26O4/c1-13(2)7-6-8-14(3)11-15-9-10-18(12-15,16(19)21-4)17(20)22-5/h7,9,11H,6,8,10,12H2,1-5H3/b14-11-
InChIKeyOLGQGUUHMUQHAK-KAMYIIQDSA-N
XLogP3.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.73
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'}

Analyze dimethyl 3-[(1Z)-2,6-dimethylhepta-1,5-dienyl]cyclopent-3-ene-1,1-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[(1Z)-2,6-dimethylhepta-1,5-dienyl]cyclopent-3-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl 3-[(1Z)-2,6-dimethylhepta-1,5-dienyl]cyclopent-3-ene-1,1-dicarboxylate (CID 135007259) is dimethyl 3-[(1Z)-2,6-dimethylhepta-1,5-dienyl]cyclopent-3-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 3-[(1Z)-2,6-dimethylhepta-1,5-dienyl]cyclopent-3-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl 3-[(1Z)-2,6-dimethylhepta-1,5-dienyl]cyclopent-3-ene-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)CC=C(/C=C(/C)CCC=C(C)C)C1.
What is the InChIKey of dimethyl 3-[(1Z)-2,6-dimethylhepta-1,5-dienyl]cyclopent-3-ene-1,1-dicarboxylate?
The InChIKey is OLGQGUUHMUQHAK-KAMYIIQDSA-N. The full InChI is InChI=1S/C18H26O4/c1-13(2)7-6-8-14(3)11-15-9-10-18(12-15,16(19)21-4)17(20)22-5/h7,9,11H,6,8,10,12H2,1-5H3/b14-11-.
What are the key properties of dimethyl 3-[(1Z)-2,6-dimethylhepta-1,5-dienyl]cyclopent-3-ene-1,1-dicarboxylate?
dimethyl 3-[(1Z)-2,6-dimethylhepta-1,5-dienyl]cyclopent-3-ene-1,1-dicarboxylate has a molecular weight of 306.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[(1Z)-2,6-dimethylhepta-1,5-dienyl]cyclopent-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 135007259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).