methyl 8-formyl-10,10-dimethoxydeca-5,8-dienoate

C14H22O5 — CID 71326659

IUPACmethyl 8-formyl-10,10-dimethoxydeca-5,8-dienoate
SMILESCOC(=O)CCCC=CCC(C=O)=CC(OC)OC
InChIInChI=1S/C14H22O5/c1-17-13(16)9-7-5-4-6-8-12(11-15)10-14(18-2)19-3/h4,6,10-11,14H,5,7-9H2,1-3H3
InChIKeyCBWDUMASFAYWQX-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.02
Rot. Bonds10

About methyl 8-formyl-10,10-dimethoxydeca-5,8-dienoate

methyl 8-formyl-10,10-dimethoxydeca-5,8-dienoate (PubChem CID 71326659) has the molecular formula C14H22O5 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 8-formyl-10,10-dimethoxydeca-5,8-dienoate.

Molecular Properties

Compound Namemethyl 8-formyl-10,10-dimethoxydeca-5,8-dienoate
PubChem CID71326659
Molecular FormulaC14H22O5
Molecular Weight270.33 g/mol
Exact Mass270.15
IUPAC Namemethyl 8-formyl-10,10-dimethoxydeca-5,8-dienoate
SMILESCOC(=O)CCCC=CCC(C=O)=CC(OC)OC
InChIInChI=1S/C14H22O5/c1-17-13(16)9-7-5-4-6-8-12(11-15)10-14(18-2)19-3/h4,6,10-11,14H,5,7-9H2,1-3H3
InChIKeyCBWDUMASFAYWQX-UHFFFAOYSA-N
XLogP2.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl (E)-non-3-enedioate
CID 14690983
dimethyl (E)-hexacos-3-enedioate
CID 118195406
methyl (Z)-7-hydroxyhept-5-enoate
CID 15586879
methyl dec-5-enoate
CID 54534253
methyl undeca-5,9-dienoate
CID 57288687
methyl (6Z,9E,11E,13E)-9-formyl-15-oxoheptadeca-6,9,11,13-tetraenoate
CID 23427927
dimethyl (E)-triacont-15-enedioate
CID 10767955
methyl (Z)-undec-5-enoate
CID 11469683
methyl 7-chlorohept-5-enoate
CID 54573393
methyl (E)-7-oxohept-5-enoate
CID 10920751
methyl (5E)-undeca-5,10-dienoate
CID 102118350
methyl dodec-5-enoate
CID 86010951

Frequently Asked Questions

What is the IUPAC name of methyl 8-formyl-10,10-dimethoxydeca-5,8-dienoate?
The IUPAC name of methyl 8-formyl-10,10-dimethoxydeca-5,8-dienoate (CID 71326659) is methyl 8-formyl-10,10-dimethoxydeca-5,8-dienoate.
What is the SMILES notation for methyl 8-formyl-10,10-dimethoxydeca-5,8-dienoate?
The canonical SMILES for methyl 8-formyl-10,10-dimethoxydeca-5,8-dienoate is COC(=O)CCCC=CCC(C=O)=CC(OC)OC.
What is the InChIKey of methyl 8-formyl-10,10-dimethoxydeca-5,8-dienoate?
The InChIKey is CBWDUMASFAYWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-17-13(16)9-7-5-4-6-8-12(11-15)10-14(18-2)19-3/h4,6,10-11,14H,5,7-9H2,1-3H3.
What are the key properties of methyl 8-formyl-10,10-dimethoxydeca-5,8-dienoate?
methyl 8-formyl-10,10-dimethoxydeca-5,8-dienoate has a molecular weight of 270.33 g/mol, XLogP of 2.02, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-formyl-10,10-dimethoxydeca-5,8-dienoate is sourced from PubChem (CID 71326659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).