2-ethylhexan-1-ol;2-hexyloctan-1-ol

C22H48O2 — CID 146216303

IUPAC2-ethylhexan-1-ol;2-hexyloctan-1-ol
SMILESCCCCC(CC)CO.CCCCCCC(CO)CCCCCC
InChIInChI=1S/C14H30O.C8H18O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2;1-3-5-6-8(4-2)7-9/h14-15H,3-13H2,1-2H3;8-9H,3-7H2,1-2H3
InChIKeyAKMKJNWFDGKXMF-UHFFFAOYSA-N
MW344.62 g/mol
LogP6.73
Rot. Bonds16

About 2-ethylhexan-1-ol;2-hexyloctan-1-ol

2-ethylhexan-1-ol;2-hexyloctan-1-ol (PubChem CID 146216303) has the molecular formula C22H48O2 and a molecular weight of 344.62 g/mol. Its IUPAC name is 2-ethylhexan-1-ol;2-hexyloctan-1-ol.

Molecular Properties

Compound Name2-ethylhexan-1-ol;2-hexyloctan-1-ol
PubChem CID146216303
Molecular FormulaC22H48O2
Molecular Weight344.62 g/mol
Exact Mass344.37
IUPAC Name2-ethylhexan-1-ol;2-hexyloctan-1-ol
SMILESCCCCC(CC)CO.CCCCCCC(CO)CCCCCC
InChIInChI=1S/C14H30O.C8H18O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2;1-3-5-6-8(4-2)7-9/h14-15H,3-13H2,1-2H3;8-9H,3-7H2,1-2H3
InChIKeyAKMKJNWFDGKXMF-UHFFFAOYSA-N
XLogP6.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.62
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethylhexan-1-ol;2-hexyloctan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyldodecan-1-ol
CID 545553
2-butyloctan-1-ol;2-undecylpentadecan-1-ol
CID 160770857
2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
2-pentyldodecan-1-ol
CID 23125768
2-hexyloctan-1-ol;2-pentylheptan-1-ol
CID 175595463
2-pentyltridecan-1-ol
CID 19896300
2-nonylundecan-1-ol
CID 14397092
2-ethylhexan-1-ol;hydron
CID 175010288
1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164
2-ethylhexan-1-ol;iron
CID 22477032
ethanol;2-heptylnonan-1-ol
CID 122482877

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexan-1-ol;2-hexyloctan-1-ol?
The IUPAC name of 2-ethylhexan-1-ol;2-hexyloctan-1-ol (CID 146216303) is 2-ethylhexan-1-ol;2-hexyloctan-1-ol.
What is the SMILES notation for 2-ethylhexan-1-ol;2-hexyloctan-1-ol?
The canonical SMILES for 2-ethylhexan-1-ol;2-hexyloctan-1-ol is CCCCC(CC)CO.CCCCCCC(CO)CCCCCC.
What is the InChIKey of 2-ethylhexan-1-ol;2-hexyloctan-1-ol?
The InChIKey is AKMKJNWFDGKXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O.C8H18O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2;1-3-5-6-8(4-2)7-9/h14-15H,3-13H2,1-2H3;8-9H,3-7H2,1-2H3.
What are the key properties of 2-ethylhexan-1-ol;2-hexyloctan-1-ol?
2-ethylhexan-1-ol;2-hexyloctan-1-ol has a molecular weight of 344.62 g/mol, XLogP of 6.73, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexan-1-ol;2-hexyloctan-1-ol is sourced from PubChem (CID 146216303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).