2-ethylhex-3-en-1-ol

C8H16O — CID 543244

IUPAC2-ethylhex-3-en-1-ol
SMILESCCC=CC(CC)CO
InChIInChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyWNQFVERFIHFVJG-UHFFFAOYSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds4

About 2-ethylhex-3-en-1-ol

2-ethylhex-3-en-1-ol (PubChem CID 543244) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2-ethylhex-3-en-1-ol.

Molecular Properties

Compound Name2-ethylhex-3-en-1-ol
PubChem CID543244
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2-ethylhex-3-en-1-ol
SMILESCCC=CC(CC)CO
InChIInChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyWNQFVERFIHFVJG-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhex-3-en-1-ol?
The IUPAC name of 2-ethylhex-3-en-1-ol (CID 543244) is 2-ethylhex-3-en-1-ol.
What is the SMILES notation for 2-ethylhex-3-en-1-ol?
The canonical SMILES for 2-ethylhex-3-en-1-ol is CCC=CC(CC)CO.
What is the InChIKey of 2-ethylhex-3-en-1-ol?
The InChIKey is WNQFVERFIHFVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 2-ethylhex-3-en-1-ol?
2-ethylhex-3-en-1-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhex-3-en-1-ol is sourced from PubChem (CID 543244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).