2,3,4-trimethylhexan-3-ol

C9H20O — CID 20798443

IUPAC2,3,4-trimethylhexan-3-ol
SMILESCCC(C)C(C)(O)C(C)C
InChIInChI=1S/C9H20O/c1-6-8(4)9(5,10)7(2)3/h7-8,10H,6H2,1-5H3
InChIKeyLTKHKGAPVGSECA-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.44
Rot. Bonds3

About 2,3,4-trimethylhexan-3-ol

2,3,4-trimethylhexan-3-ol (PubChem CID 20798443) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 2,3,4-trimethylhexan-3-ol.

Molecular Properties

Compound Name2,3,4-trimethylhexan-3-ol
PubChem CID20798443
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name2,3,4-trimethylhexan-3-ol
SMILESCCC(C)C(C)(O)C(C)C
InChIInChI=1S/C9H20O/c1-6-8(4)9(5,10)7(2)3/h7-8,10H,6H2,1-5H3
InChIKeyLTKHKGAPVGSECA-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylhexan-3-ol?
The IUPAC name of 2,3,4-trimethylhexan-3-ol (CID 20798443) is 2,3,4-trimethylhexan-3-ol.
What is the SMILES notation for 2,3,4-trimethylhexan-3-ol?
The canonical SMILES for 2,3,4-trimethylhexan-3-ol is CCC(C)C(C)(O)C(C)C.
What is the InChIKey of 2,3,4-trimethylhexan-3-ol?
The InChIKey is LTKHKGAPVGSECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-6-8(4)9(5,10)7(2)3/h7-8,10H,6H2,1-5H3.
What are the key properties of 2,3,4-trimethylhexan-3-ol?
2,3,4-trimethylhexan-3-ol has a molecular weight of 144.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylhexan-3-ol is sourced from PubChem (CID 20798443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).