dimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate

C19H32O4 — CID 102143482

IUPACdimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate
SMILESCCCCCCCCCC/C=C/C1CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C19H32O4/c1-4-5-6-7-8-9-10-11-12-13-14-16-15-19(16,17(20)22-2)18(21)23-3/h13-14,16H,4-12,15H2,1-3H3/b14-13+
InChIKeyFNHVQBWPGSAMCY-BUHFOSPRSA-N
MW324.46 g/mol
LogP4.43
Rot. Bonds12

About dimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate

dimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate (PubChem CID 102143482) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is dimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate
PubChem CID102143482
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Namedimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate
SMILESCCCCCCCCCC/C=C/C1CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C19H32O4/c1-4-5-6-7-8-9-10-11-12-13-14-16-15-19(16,17(20)22-2)18(21)23-3/h13-14,16H,4-12,15H2,1-3H3/b14-13+
InChIKeyFNHVQBWPGSAMCY-BUHFOSPRSA-N
XLogP4.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-[(E)-4-bromobut-1-enyl]cyclopropane-1,1-dicarboxylate
CID 102143483
carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane
CID 70519875
dimethyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 10464992
methyl 6-hept-1-enyl-2-oxo-4-trimethylsilyloxybicyclo[3.1.0]hexane-1-carboxylate
CID 70586981
methyl 8-(2-hex-1-enylcyclopropyl)oct-7-enoate
CID 77365865
methyl dodec-5-enoate
CID 86010951
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (Z)-hexadec-3-enoate
CID 91746830
methyl (E)-octadec-7-enoate
CID 5364440

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate?
The IUPAC name of dimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate (CID 102143482) is dimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate is CCCCCCCCCC/C=C/C1CC1(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate?
The InChIKey is FNHVQBWPGSAMCY-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H32O4/c1-4-5-6-7-8-9-10-11-12-13-14-16-15-19(16,17(20)22-2)18(21)23-3/h13-14,16H,4-12,15H2,1-3H3/b14-13+.
What are the key properties of dimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate?
dimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate has a molecular weight of 324.46 g/mol, XLogP of 4.43, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 102143482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).