(E)-2-ethylhex-1-en-1-ol

C8H16O — CID 22116484

IUPAC(E)-2-ethylhex-1-en-1-ol
SMILESCCCC/C(=C/O)CC
InChIInChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7,9H,3-6H2,1-2H3/b8-7+
InChIKeyMMELVRLTDGKXGU-BQYQJAHWSA-N
MW128.22 g/mol
LogP3.03
Rot. Bonds4

About (E)-2-ethylhex-1-en-1-ol

(E)-2-ethylhex-1-en-1-ol (PubChem CID 22116484) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is (E)-2-ethylhex-1-en-1-ol.

Molecular Properties

Compound Name(E)-2-ethylhex-1-en-1-ol
PubChem CID22116484
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name(E)-2-ethylhex-1-en-1-ol
SMILESCCCC/C(=C/O)CC
InChIInChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7,9H,3-6H2,1-2H3/b8-7+
InChIKeyMMELVRLTDGKXGU-BQYQJAHWSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (E)-2-ethylhex-1-en-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

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethylhex-1-en-1-ol?
The IUPAC name of (E)-2-ethylhex-1-en-1-ol (CID 22116484) is (E)-2-ethylhex-1-en-1-ol.
What is the SMILES notation for (E)-2-ethylhex-1-en-1-ol?
The canonical SMILES for (E)-2-ethylhex-1-en-1-ol is CCCC/C(=C/O)CC.
What is the InChIKey of (E)-2-ethylhex-1-en-1-ol?
The InChIKey is MMELVRLTDGKXGU-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7,9H,3-6H2,1-2H3/b8-7+.
What are the key properties of (E)-2-ethylhex-1-en-1-ol?
(E)-2-ethylhex-1-en-1-ol has a molecular weight of 128.22 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethylhex-1-en-1-ol is sourced from PubChem (CID 22116484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).