ethoxyethane;2-ethyloctanoic acid

C14H30O3 — CID 87339497

IUPACethoxyethane;2-ethyloctanoic acid
SMILESCCCCCCC(CC)C(=O)O.CCOCC
InChIInChI=1S/C10H20O2.C4H10O/c1-3-5-6-7-8-9(4-2)10(11)12;1-3-5-4-2/h9H,3-8H2,1-2H3,(H,11,12);3-4H2,1-2H3
InChIKeyNHIMUJQYHCLEHZ-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.11
Rot. Bonds9

About ethoxyethane;2-ethyloctanoic acid

ethoxyethane;2-ethyloctanoic acid (PubChem CID 87339497) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is ethoxyethane;2-ethyloctanoic acid.

Molecular Properties

Compound Nameethoxyethane;2-ethyloctanoic acid
PubChem CID87339497
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Nameethoxyethane;2-ethyloctanoic acid
SMILESCCCCCCC(CC)C(=O)O.CCOCC
InChIInChI=1S/C10H20O2.C4H10O/c1-3-5-6-7-8-9(4-2)10(11)12;1-3-5-4-2/h9H,3-8H2,1-2H3,(H,11,12);3-4H2,1-2H3
InChIKeyNHIMUJQYHCLEHZ-UHFFFAOYSA-N
XLogP4.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(2R)-2-ethyldodecanoic acid
CID 98093060
2-ethylhexanoic acid;hexadecane
CID 174408772
2,9-diethyltetradecanoic acid
CID 174910450
2-hexylnonanoic acid
CID 18521424
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
2-dodecyldotriacontanoic acid
CID 90853745

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-ethyloctanoic acid?
The IUPAC name of ethoxyethane;2-ethyloctanoic acid (CID 87339497) is ethoxyethane;2-ethyloctanoic acid.
What is the SMILES notation for ethoxyethane;2-ethyloctanoic acid?
The canonical SMILES for ethoxyethane;2-ethyloctanoic acid is CCCCCCC(CC)C(=O)O.CCOCC.
What is the InChIKey of ethoxyethane;2-ethyloctanoic acid?
The InChIKey is NHIMUJQYHCLEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C4H10O/c1-3-5-6-7-8-9(4-2)10(11)12;1-3-5-4-2/h9H,3-8H2,1-2H3,(H,11,12);3-4H2,1-2H3.
What are the key properties of ethoxyethane;2-ethyloctanoic acid?
ethoxyethane;2-ethyloctanoic acid has a molecular weight of 246.39 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-ethyloctanoic acid is sourced from PubChem (CID 87339497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).