2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane

C20H40O5 — CID 151032004

IUPAC2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane
SMILESCCCCCCCCC(CCC(C)OCC1CO1)C(OC)(OC)OC
InChIInChI=1S/C20H40O5/c1-6-7-8-9-10-11-12-18(20(21-3,22-4)23-5)14-13-17(2)24-15-19-16-25-19/h17-19H,6-16H2,1-5H3
InChIKeyMAGMMYZBCNWGPY-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.53
Rot. Bonds17

About 2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane

2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane (PubChem CID 151032004) has the molecular formula C20H40O5 and a molecular weight of 360.54 g/mol. Its IUPAC name is 2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane.

Molecular Properties

Compound Name2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane
PubChem CID151032004
Molecular FormulaC20H40O5
Molecular Weight360.54 g/mol
Exact Mass360.29
IUPAC Name2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane
SMILESCCCCCCCCC(CCC(C)OCC1CO1)C(OC)(OC)OC
InChIInChI=1S/C20H40O5/c1-6-7-8-9-10-11-12-18(20(21-3,22-4)23-5)14-13-17(2)24-15-19-16-25-19/h17-19H,6-16H2,1-5H3
InChIKeyMAGMMYZBCNWGPY-UHFFFAOYSA-N
XLogP4.53
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane
CID 151055599
2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
CID 101275367
6-(trimethoxymethyl)tridecane
CID 151806345
2-methyl-5-(trimethoxymethyl)tridecane
CID 151591018
2-[4-[tri(propan-2-yloxy)methyl]dodecoxymethyl]oxirane
CID 150630689
trimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane
CID 175003843
2-(icosan-9-yloxymethyl)oxirane
CID 19926010
2-[1-(oxiran-2-ylmethoxy)pentadecoxymethyl]oxirane
CID 176729435
2-[3-(1,1,1-trimethoxydecan-2-yloxy)propoxymethyl]oxirane
CID 150291237
4-(trimethoxymethyl)dodecane;hydrochloride
CID 172790816
2-[[(3R)-3-(triethoxymethyl)undecoxy]methyl]oxirane
CID 151612559
2-(1-bromoheptoxymethyl)oxirane
CID 88600331

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane?
The IUPAC name of 2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane (CID 151032004) is 2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane.
What is the SMILES notation for 2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane?
The canonical SMILES for 2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane is CCCCCCCCC(CCC(C)OCC1CO1)C(OC)(OC)OC.
What is the InChIKey of 2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane?
The InChIKey is MAGMMYZBCNWGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O5/c1-6-7-8-9-10-11-12-18(20(21-3,22-4)23-5)14-13-17(2)24-15-19-16-25-19/h17-19H,6-16H2,1-5H3.
What are the key properties of 2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane?
2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane has a molecular weight of 360.54 g/mol, XLogP of 4.53, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane is sourced from PubChem (CID 151032004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).