2-ethyl-4-methylhexan-1-ol

C9H20O — CID 23444007

IUPAC2-ethyl-4-methylhexan-1-ol
SMILESCCC(C)CC(CC)CO
InChIInChI=1S/C9H20O/c1-4-8(3)6-9(5-2)7-10/h8-10H,4-7H2,1-3H3
InChIKeyNRZVENBFUFCASY-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.44
Rot. Bonds5

About 2-ethyl-4-methylhexan-1-ol

2-ethyl-4-methylhexan-1-ol (PubChem CID 23444007) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-ethyl-4-methylhexan-1-ol.

Molecular Properties

Compound Name2-ethyl-4-methylhexan-1-ol
PubChem CID23444007
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name2-ethyl-4-methylhexan-1-ol
SMILESCCC(C)CC(CC)CO
InChIInChI=1S/C9H20O/c1-4-8(3)6-9(5-2)7-10/h8-10H,4-7H2,1-3H3
InChIKeyNRZVENBFUFCASY-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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-ethyl-4-methylhexan-1-ol?
The IUPAC name of 2-ethyl-4-methylhexan-1-ol (CID 23444007) is 2-ethyl-4-methylhexan-1-ol.
What is the SMILES notation for 2-ethyl-4-methylhexan-1-ol?
The canonical SMILES for 2-ethyl-4-methylhexan-1-ol is CCC(C)CC(CC)CO.
What is the InChIKey of 2-ethyl-4-methylhexan-1-ol?
The InChIKey is NRZVENBFUFCASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-4-8(3)6-9(5-2)7-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-4-methylhexan-1-ol?
2-ethyl-4-methylhexan-1-ol has a molecular weight of 144.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylhexan-1-ol is sourced from PubChem (CID 23444007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).