N-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide

C13H27NO2 — CID 167233671

IUPACN-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide
SMILESCCOCC(C)(C)CC(C)(C)CCNC=O
InChIInChI=1S/C13H27NO2/c1-6-16-10-13(4,5)9-12(2,3)7-8-14-11-15/h11H,6-10H2,1-5H3,(H,14,15)
InChIKeyXWKUPCIAACHYAD-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.60
Rot. Bonds9

About N-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide

N-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide (PubChem CID 167233671) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide.

Molecular Properties

Compound NameN-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide
PubChem CID167233671
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide
SMILESCCOCC(C)(C)CC(C)(C)CCNC=O
InChIInChI=1S/C13H27NO2/c1-6-16-10-13(4,5)9-12(2,3)7-8-14-11-15/h11H,6-10H2,1-5H3,(H,14,15)
InChIKeyXWKUPCIAACHYAD-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide?
The IUPAC name of N-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide (CID 167233671) is N-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide.
What is the SMILES notation for N-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide?
The canonical SMILES for N-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide is CCOCC(C)(C)CC(C)(C)CCNC=O.
What is the InChIKey of N-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide?
The InChIKey is XWKUPCIAACHYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-16-10-13(4,5)9-12(2,3)7-8-14-11-15/h11H,6-10H2,1-5H3,(H,14,15).
What are the key properties of N-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide?
N-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide has a molecular weight of 229.36 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide is sourced from PubChem (CID 167233671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).