1,2,3-trimethoxy-1-(1,2,3-trimethoxyundec-2-enoxy)undec-2-ene

C28H54O7 — CID 175164288

IUPAC1,2,3-trimethoxy-1-(1,2,3-trimethoxyundec-2-enoxy)undec-2-ene
SMILESCCCCCCCCC(OC)=C(OC)C(OC)OC(OC)C(OC)=C(CCCCCCCC)OC
InChIInChI=1S/C28H54O7/c1-9-11-13-15-17-19-21-23(29-3)25(31-5)27(33-7)35-28(34-8)26(32-6)24(30-4)22-20-18-16-14-12-10-2/h27-28H,9-22H2,1-8H3
InChIKeyBJTFABDKCCEGHX-UHFFFAOYSA-N
MW502.73 g/mol
LogP7.46
Rot. Bonds24

About 1,2,3-trimethoxy-1-(1,2,3-trimethoxyundec-2-enoxy)undec-2-ene

1,2,3-trimethoxy-1-(1,2,3-trimethoxyundec-2-enoxy)undec-2-ene (PubChem CID 175164288) has the molecular formula C28H54O7 and a molecular weight of 502.73 g/mol. Its IUPAC name is 1,2,3-trimethoxy-1-(1,2,3-trimethoxyundec-2-enoxy)undec-2-ene.

Molecular Properties

Compound Name1,2,3-trimethoxy-1-(1,2,3-trimethoxyundec-2-enoxy)undec-2-ene
PubChem CID175164288
Molecular FormulaC28H54O7
Molecular Weight502.73 g/mol
Exact Mass502.39
IUPAC Name1,2,3-trimethoxy-1-(1,2,3-trimethoxyundec-2-enoxy)undec-2-ene
SMILESCCCCCCCCC(OC)=C(OC)C(OC)OC(OC)C(OC)=C(CCCCCCCC)OC
InChIInChI=1S/C28H54O7/c1-9-11-13-15-17-19-21-23(29-3)25(31-5)27(33-7)35-28(34-8)26(32-6)24(30-4)22-20-18-16-14-12-10-2/h27-28H,9-22H2,1-8H3
InChIKeyBJTFABDKCCEGHX-UHFFFAOYSA-N
XLogP7.46
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.73
LogP ≤ 57.46
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'}

Analyze 1,2,3-trimethoxy-1-(1,2,3-trimethoxyundec-2-enoxy)undec-2-ene 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 1,2,3-trimethoxy-1-(1,2,3-trimethoxyundec-2-enoxy)undec-2-ene?
The IUPAC name of 1,2,3-trimethoxy-1-(1,2,3-trimethoxyundec-2-enoxy)undec-2-ene (CID 175164288) is 1,2,3-trimethoxy-1-(1,2,3-trimethoxyundec-2-enoxy)undec-2-ene.
What is the SMILES notation for 1,2,3-trimethoxy-1-(1,2,3-trimethoxyundec-2-enoxy)undec-2-ene?
The canonical SMILES for 1,2,3-trimethoxy-1-(1,2,3-trimethoxyundec-2-enoxy)undec-2-ene is CCCCCCCCC(OC)=C(OC)C(OC)OC(OC)C(OC)=C(CCCCCCCC)OC.
What is the InChIKey of 1,2,3-trimethoxy-1-(1,2,3-trimethoxyundec-2-enoxy)undec-2-ene?
The InChIKey is BJTFABDKCCEGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O7/c1-9-11-13-15-17-19-21-23(29-3)25(31-5)27(33-7)35-28(34-8)26(32-6)24(30-4)22-20-18-16-14-12-10-2/h27-28H,9-22H2,1-8H3.
What are the key properties of 1,2,3-trimethoxy-1-(1,2,3-trimethoxyundec-2-enoxy)undec-2-ene?
1,2,3-trimethoxy-1-(1,2,3-trimethoxyundec-2-enoxy)undec-2-ene has a molecular weight of 502.73 g/mol, XLogP of 7.46, 24 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-trimethoxyundec-2-enoxy)undec-2-ene is sourced from PubChem (CID 175164288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).