2,4-diethylhex-2-en-1-ol

C10H20O — CID 79335318

IUPAC2,4-diethylhex-2-en-1-ol
SMILESCCC(=CC(CC)CC)CO
InChIInChI=1S/C10H20O/c1-4-9(5-2)7-10(6-3)8-11/h7,9,11H,4-6,8H2,1-3H3
InChIKeyWRBNCWYNOYUFSN-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds5

About 2,4-diethylhex-2-en-1-ol

2,4-diethylhex-2-en-1-ol (PubChem CID 79335318) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,4-diethylhex-2-en-1-ol.

Molecular Properties

Compound Name2,4-diethylhex-2-en-1-ol
PubChem CID79335318
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2,4-diethylhex-2-en-1-ol
SMILESCCC(=CC(CC)CC)CO
InChIInChI=1S/C10H20O/c1-4-9(5-2)7-10(6-3)8-11/h7,9,11H,4-6,8H2,1-3H3
InChIKeyWRBNCWYNOYUFSN-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.75
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 2,4-diethylhex-2-en-1-ol?
The IUPAC name of 2,4-diethylhex-2-en-1-ol (CID 79335318) is 2,4-diethylhex-2-en-1-ol.
What is the SMILES notation for 2,4-diethylhex-2-en-1-ol?
The canonical SMILES for 2,4-diethylhex-2-en-1-ol is CCC(=CC(CC)CC)CO.
What is the InChIKey of 2,4-diethylhex-2-en-1-ol?
The InChIKey is WRBNCWYNOYUFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-9(5-2)7-10(6-3)8-11/h7,9,11H,4-6,8H2,1-3H3.
What are the key properties of 2,4-diethylhex-2-en-1-ol?
2,4-diethylhex-2-en-1-ol has a molecular weight of 156.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethylhex-2-en-1-ol is sourced from PubChem (CID 79335318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).