2-ethylhex-1-en-1-ol

C8H16O — CID 71317675

IUPAC2-ethylhex-1-en-1-ol
SMILESCCCCC(=CO)CC
InChIInChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7,9H,3-6H2,1-2H3
InChIKeyMMELVRLTDGKXGU-UHFFFAOYSA-N
MW128.22 g/mol
LogP3.03
Rot. Bonds4

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

2-ethylhex-1-en-1-ol (PubChem CID 71317675) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-ethylhex-1-en-1-ol.

Molecular Properties

Compound Name2-ethylhex-1-en-1-ol
PubChem CID71317675
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name2-ethylhex-1-en-1-ol
SMILESCCCCC(=CO)CC
InChIInChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7,9H,3-6H2,1-2H3
InChIKeyMMELVRLTDGKXGU-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhex-1-en-1-ol?
The IUPAC name of 2-ethylhex-1-en-1-ol (CID 71317675) is 2-ethylhex-1-en-1-ol.
What is the SMILES notation for 2-ethylhex-1-en-1-ol?
The canonical SMILES for 2-ethylhex-1-en-1-ol is CCCCC(=CO)CC.
What is the InChIKey of 2-ethylhex-1-en-1-ol?
The InChIKey is MMELVRLTDGKXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-ethylhex-1-en-1-ol?
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 2-ethylhex-1-en-1-ol is sourced from PubChem (CID 71317675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).