1,2,3-trimethoxy-1-(1,2,3-trimethoxydodec-2-enoxy)dodec-2-ene

C30H58O7 — CID 175167159

IUPAC1,2,3-trimethoxy-1-(1,2,3-trimethoxydodec-2-enoxy)dodec-2-ene
SMILESCCCCCCCCCC(OC)=C(OC)C(OC)OC(OC)C(OC)=C(CCCCCCCCC)OC
InChIInChI=1S/C30H58O7/c1-9-11-13-15-17-19-21-23-25(31-3)27(33-5)29(35-7)37-30(36-8)28(34-6)26(32-4)24-22-20-18-16-14-12-10-2/h29-30H,9-24H2,1-8H3
InChIKeyBHWVVDDBTKXDCF-UHFFFAOYSA-N
MW530.79 g/mol
LogP8.24
Rot. Bonds26

About 1,2,3-trimethoxy-1-(1,2,3-trimethoxydodec-2-enoxy)dodec-2-ene

1,2,3-trimethoxy-1-(1,2,3-trimethoxydodec-2-enoxy)dodec-2-ene (PubChem CID 175167159) has the molecular formula C30H58O7 and a molecular weight of 530.79 g/mol. Its IUPAC name is 1,2,3-trimethoxy-1-(1,2,3-trimethoxydodec-2-enoxy)dodec-2-ene.

Molecular Properties

Compound Name1,2,3-trimethoxy-1-(1,2,3-trimethoxydodec-2-enoxy)dodec-2-ene
PubChem CID175167159
Molecular FormulaC30H58O7
Molecular Weight530.79 g/mol
Exact Mass530.42
IUPAC Name1,2,3-trimethoxy-1-(1,2,3-trimethoxydodec-2-enoxy)dodec-2-ene
SMILESCCCCCCCCCC(OC)=C(OC)C(OC)OC(OC)C(OC)=C(CCCCCCCCC)OC
InChIInChI=1S/C30H58O7/c1-9-11-13-15-17-19-21-23-25(31-3)27(33-5)29(35-7)37-30(36-8)28(34-6)26(32-4)24-22-20-18-16-14-12-10-2/h29-30H,9-24H2,1-8H3
InChIKeyBHWVVDDBTKXDCF-UHFFFAOYSA-N
XLogP8.24
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.79
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-1-(1,2,3-trimethoxydodec-2-enoxy)dodec-2-ene?
The IUPAC name of 1,2,3-trimethoxy-1-(1,2,3-trimethoxydodec-2-enoxy)dodec-2-ene (CID 175167159) is 1,2,3-trimethoxy-1-(1,2,3-trimethoxydodec-2-enoxy)dodec-2-ene.
What is the SMILES notation for 1,2,3-trimethoxy-1-(1,2,3-trimethoxydodec-2-enoxy)dodec-2-ene?
The canonical SMILES for 1,2,3-trimethoxy-1-(1,2,3-trimethoxydodec-2-enoxy)dodec-2-ene is CCCCCCCCCC(OC)=C(OC)C(OC)OC(OC)C(OC)=C(CCCCCCCCC)OC.
What is the InChIKey of 1,2,3-trimethoxy-1-(1,2,3-trimethoxydodec-2-enoxy)dodec-2-ene?
The InChIKey is BHWVVDDBTKXDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O7/c1-9-11-13-15-17-19-21-23-25(31-3)27(33-5)29(35-7)37-30(36-8)28(34-6)26(32-4)24-22-20-18-16-14-12-10-2/h29-30H,9-24H2,1-8H3.
What are the key properties of 1,2,3-trimethoxy-1-(1,2,3-trimethoxydodec-2-enoxy)dodec-2-ene?
1,2,3-trimethoxy-1-(1,2,3-trimethoxydodec-2-enoxy)dodec-2-ene has a molecular weight of 530.79 g/mol, XLogP of 8.24, 26 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-1-(1,2,3-trimethoxydodec-2-enoxy)dodec-2-ene is sourced from PubChem (CID 175167159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).