1,1,1-triethoxy-11-ethyltetradecane

C22H46O3 — CID 150375799

IUPAC1,1,1-triethoxy-11-ethyltetradecane
SMILESCCCC(CC)CCCCCCCCCC(OCC)(OCC)OCC
InChIInChI=1S/C22H46O3/c1-6-18-21(7-2)19-16-14-12-11-13-15-17-20-22(23-8-3,24-9-4)25-10-5/h21H,6-20H2,1-5H3
InChIKeyGYQZPEWJCDQQCQ-UHFFFAOYSA-N
MW358.61 g/mol
LogP7.09
Rot. Bonds19

About 1,1,1-triethoxy-11-ethyltetradecane

1,1,1-triethoxy-11-ethyltetradecane (PubChem CID 150375799) has the molecular formula C22H46O3 and a molecular weight of 358.61 g/mol. Its IUPAC name is 1,1,1-triethoxy-11-ethyltetradecane.

Molecular Properties

Compound Name1,1,1-triethoxy-11-ethyltetradecane
PubChem CID150375799
Molecular FormulaC22H46O3
Molecular Weight358.61 g/mol
Exact Mass358.34
IUPAC Name1,1,1-triethoxy-11-ethyltetradecane
SMILESCCCC(CC)CCCCCCCCCC(OCC)(OCC)OCC
InChIInChI=1S/C22H46O3/c1-6-18-21(7-2)19-16-14-12-11-13-15-17-20-22(23-8-3,24-9-4)25-10-5/h21H,6-20H2,1-5H3
InChIKeyGYQZPEWJCDQQCQ-UHFFFAOYSA-N
XLogP7.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 57.09
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

8,8,8-triethoxyoctan-3-amine
CID 162686266
ruthenium;1,1,1-triethoxydecane
CID 157324278
4-ethylnonadecane
CID 22223766
4-ethylhexadecane
CID 528433
8-(3-ethylhexyl)hexadecane
CID 123944120
10-ethyl-2-methyltridecane
CID 173195663
1-amino-10,10,10-triethoxydecane-3-thiol
CID 151796359
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
CID 156790678
CID 156790678

Frequently Asked Questions

What is the IUPAC name of 1,1,1-triethoxy-11-ethyltetradecane?
The IUPAC name of 1,1,1-triethoxy-11-ethyltetradecane (CID 150375799) is 1,1,1-triethoxy-11-ethyltetradecane.
What is the SMILES notation for 1,1,1-triethoxy-11-ethyltetradecane?
The canonical SMILES for 1,1,1-triethoxy-11-ethyltetradecane is CCCC(CC)CCCCCCCCCC(OCC)(OCC)OCC.
What is the InChIKey of 1,1,1-triethoxy-11-ethyltetradecane?
The InChIKey is GYQZPEWJCDQQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O3/c1-6-18-21(7-2)19-16-14-12-11-13-15-17-20-22(23-8-3,24-9-4)25-10-5/h21H,6-20H2,1-5H3.
What are the key properties of 1,1,1-triethoxy-11-ethyltetradecane?
1,1,1-triethoxy-11-ethyltetradecane has a molecular weight of 358.61 g/mol, XLogP of 7.09, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-triethoxy-11-ethyltetradecane is sourced from PubChem (CID 150375799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).