3-ethyl-5-methylhexan-1-ol;toluene

C16H28O — CID 174382786

IUPAC3-ethyl-5-methylhexan-1-ol;toluene
SMILESCCC(CCO)CC(C)C.Cc1ccccc1
InChIInChI=1S/C9H20O.C7H8/c1-4-9(5-6-10)7-8(2)3;1-7-5-3-2-4-6-7/h8-10H,4-7H2,1-3H3;2-6H,1H3
InChIKeyLUZLRMWRQYIZBQ-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.44
Rot. Bonds5

About 3-ethyl-5-methylhexan-1-ol;toluene

3-ethyl-5-methylhexan-1-ol;toluene (PubChem CID 174382786) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-ethyl-5-methylhexan-1-ol;toluene.

Molecular Properties

Compound Name3-ethyl-5-methylhexan-1-ol;toluene
PubChem CID174382786
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name3-ethyl-5-methylhexan-1-ol;toluene
SMILESCCC(CCO)CC(C)C.Cc1ccccc1
InChIInChI=1S/C9H20O.C7H8/c1-4-9(5-6-10)7-8(2)3;1-7-5-3-2-4-6-7/h8-10H,4-7H2,1-3H3;2-6H,1H3
InChIKeyLUZLRMWRQYIZBQ-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-5-methylhexan-1-ol;toluene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylhexan-1-ol;toluene?
The IUPAC name of 3-ethyl-5-methylhexan-1-ol;toluene (CID 174382786) is 3-ethyl-5-methylhexan-1-ol;toluene.
What is the SMILES notation for 3-ethyl-5-methylhexan-1-ol;toluene?
The canonical SMILES for 3-ethyl-5-methylhexan-1-ol;toluene is CCC(CCO)CC(C)C.Cc1ccccc1.
What is the InChIKey of 3-ethyl-5-methylhexan-1-ol;toluene?
The InChIKey is LUZLRMWRQYIZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.C7H8/c1-4-9(5-6-10)7-8(2)3;1-7-5-3-2-4-6-7/h8-10H,4-7H2,1-3H3;2-6H,1H3.
What are the key properties of 3-ethyl-5-methylhexan-1-ol;toluene?
3-ethyl-5-methylhexan-1-ol;toluene has a molecular weight of 236.40 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylhexan-1-ol;toluene is sourced from PubChem (CID 174382786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).