2-ethoxytridecane

C15H32O — CID 54143367

IUPAC2-ethoxytridecane
SMILESCCCCCCCCCCCC(C)OCC
InChIInChI=1S/C15H32O/c1-4-6-7-8-9-10-11-12-13-14-15(3)16-5-2/h15H,4-14H2,1-3H3
InChIKeyUJJCKYKIYPQYIE-UHFFFAOYSA-N
MW228.42 g/mol
LogP5.33
Rot. Bonds12

About 2-ethoxytridecane

2-ethoxytridecane (PubChem CID 54143367) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-ethoxytridecane.

Molecular Properties

Compound Name2-ethoxytridecane
PubChem CID54143367
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name2-ethoxytridecane
SMILESCCCCCCCCCCCC(C)OCC
InChIInChI=1S/C15H32O/c1-4-6-7-8-9-10-11-12-13-14-15(3)16-5-2/h15H,4-14H2,1-3H3
InChIKeyUJJCKYKIYPQYIE-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.42
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

sodium;2-ethoxydodecane;hydride;sulfuric acid
CID 173094460
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2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
octan-2-yloxymethanol
CID 57306212
2-(methoxymethoxy)nonane
CID 13203850
2-ethoxy-3-octan-2-yloxypropan-1-amine
CID 63070633
1-hexan-2-yloxydecane
CID 57029724
2-(2-methoxyethoxy)octadecane
CID 89276167
1-octan-2-yloxypropan-2-amine
CID 43127432
2-octan-2-yloxyethanamine
CID 43127313

Frequently Asked Questions

What is the IUPAC name of 2-ethoxytridecane?
The IUPAC name of 2-ethoxytridecane (CID 54143367) is 2-ethoxytridecane.
What is the SMILES notation for 2-ethoxytridecane?
The canonical SMILES for 2-ethoxytridecane is CCCCCCCCCCCC(C)OCC.
What is the InChIKey of 2-ethoxytridecane?
The InChIKey is UJJCKYKIYPQYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-4-6-7-8-9-10-11-12-13-14-15(3)16-5-2/h15H,4-14H2,1-3H3.
What are the key properties of 2-ethoxytridecane?
2-ethoxytridecane has a molecular weight of 228.42 g/mol, XLogP of 5.33, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxytridecane is sourced from PubChem (CID 54143367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).