2-ethylhexan-1-ol;hydron

C8H19O+ — CID 175010288

IUPAC2-ethylhexan-1-ol;hydron
SMILESCCCCC(CC)CO.[H+]
InChIInChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3/p+1
InChIKeyYIWUKEYIRIRTPP-UHFFFAOYSA-O
MW131.24 g/mol
LogP2.31
Rot. Bonds5

About 2-ethylhexan-1-ol;hydron

2-ethylhexan-1-ol;hydron (PubChem CID 175010288) has the molecular formula C8H19O+ and a molecular weight of 131.24 g/mol. Its IUPAC name is 2-ethylhexan-1-ol;hydron.

Molecular Properties

Compound Name2-ethylhexan-1-ol;hydron
PubChem CID175010288
Molecular FormulaC8H19O+
Molecular Weight131.24 g/mol
Exact Mass131.14
IUPAC Name2-ethylhexan-1-ol;hydron
SMILESCCCCC(CC)CO.[H+]
InChIInChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3/p+1
InChIKeyYIWUKEYIRIRTPP-UHFFFAOYSA-O
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164
2-ethylhexan-1-ol;iron
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CID 159249113
2-ethylhexan-1-ol;zirconium;trihydrochloride
CID 173397810
2-ethylhexan-1-ol;trichlorotitanium
CID 22251739
2-ethylhexan-1-ol;2-hexyloctan-1-ol
CID 146216303
2-ethyldodecan-1-ol
CID 545553
ethane-1,2-diol;2-ethylhexan-1-ol;prop-1-ene
CID 139528593
sodium;2-ethylhexan-1-ol;sulfate
CID 20976016
butanedioic acid;2-ethylhexan-1-ol
CID 159770263
bis(butan-1-ol);ethanol;2-ethylhexan-1-ol;methanol;propan-1-ol;trihydrate
CID 158610217
hexakis(dimethylazanide);2-ethylhexan-1-ol;hexan-1-ol;bis(titanium(3+))
CID 173312153

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexan-1-ol;hydron?
The IUPAC name of 2-ethylhexan-1-ol;hydron (CID 175010288) is 2-ethylhexan-1-ol;hydron.
What is the SMILES notation for 2-ethylhexan-1-ol;hydron?
The canonical SMILES for 2-ethylhexan-1-ol;hydron is CCCCC(CC)CO.[H+].
What is the InChIKey of 2-ethylhexan-1-ol;hydron?
The InChIKey is YIWUKEYIRIRTPP-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3/p+1.
What are the key properties of 2-ethylhexan-1-ol;hydron?
2-ethylhexan-1-ol;hydron has a molecular weight of 131.24 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexan-1-ol;hydron is sourced from PubChem (CID 175010288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).