1,1,1-trimethoxytridecane

C16H34O3 — CID 102481821

IUPAC1,1,1-trimethoxytridecane
SMILESCCCCCCCCCCCCC(OC)(OC)OC
InChIInChI=1S/C16H34O3/c1-5-6-7-8-9-10-11-12-13-14-15-16(17-2,18-3)19-4/h5-15H2,1-4H3
InChIKeyMAAGBRWMISVABB-UHFFFAOYSA-N
MW274.44 g/mol
LogP4.89
Rot. Bonds14

About 1,1,1-trimethoxytridecane

1,1,1-trimethoxytridecane (PubChem CID 102481821) has the molecular formula C16H34O3 and a molecular weight of 274.44 g/mol. Its IUPAC name is 1,1,1-trimethoxytridecane.

Molecular Properties

Compound Name1,1,1-trimethoxytridecane
PubChem CID102481821
Molecular FormulaC16H34O3
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name1,1,1-trimethoxytridecane
SMILESCCCCCCCCCCCCC(OC)(OC)OC
InChIInChI=1S/C16H34O3/c1-5-6-7-8-9-10-11-12-13-14-15-16(17-2,18-3)19-4/h5-15H2,1-4H3
InChIKeyMAAGBRWMISVABB-UHFFFAOYSA-N
XLogP4.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,9,9,9-hexamethoxynonane
CID 161375349
1,1,1,23,23,23-hexamethoxytricosane
CID 150492552
1,1,1,27,27,27-hexamethoxyheptacosane
CID 150189125
1,1,1,25,25,25-hexamethoxypentacosane
CID 151063523
1,1,1,21,21,21-hexamethoxy-11,11-dipropylhenicosane
CID 151648189
anthracene;1,1,1-trimethoxyhexadecane
CID 161067972
3,3-dimethoxynonane
CID 14785776
dodecyl-dimethyl-(4,4,4-trimethoxybutyl)azanium chloride
CID 159306426
11-methoxy-11-nonyltetracosane
CID 159441841
CID 53438226
CID 53438226
13-chloro-1,1,1-trimethoxytridecane
CID 150619368
ruthenium;1,1,1-triethoxydecane
CID 157324278

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trimethoxytridecane?
The IUPAC name of 1,1,1-trimethoxytridecane (CID 102481821) is 1,1,1-trimethoxytridecane.
What is the SMILES notation for 1,1,1-trimethoxytridecane?
The canonical SMILES for 1,1,1-trimethoxytridecane is CCCCCCCCCCCCC(OC)(OC)OC.
What is the InChIKey of 1,1,1-trimethoxytridecane?
The InChIKey is MAAGBRWMISVABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3/c1-5-6-7-8-9-10-11-12-13-14-15-16(17-2,18-3)19-4/h5-15H2,1-4H3.
What are the key properties of 1,1,1-trimethoxytridecane?
1,1,1-trimethoxytridecane has a molecular weight of 274.44 g/mol, XLogP of 4.89, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trimethoxytridecane is sourced from PubChem (CID 102481821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).