(2R)-2-ethylhex-5-en-1-ol

C8H16O — CID 11094637

IUPAC(2R)-2-ethylhex-5-en-1-ol
SMILESC=CCC[C@@H](CC)CO
InChIInChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h3,8-9H,1,4-7H2,2H3/t8-/m1/s1
InChIKeySKGWHSIXVYWAOD-MRVPVSSYSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds5

About (2R)-2-ethylhex-5-en-1-ol

(2R)-2-ethylhex-5-en-1-ol (PubChem CID 11094637) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (2R)-2-ethylhex-5-en-1-ol.

Molecular Properties

Compound Name(2R)-2-ethylhex-5-en-1-ol
PubChem CID11094637
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(2R)-2-ethylhex-5-en-1-ol
SMILESC=CCC[C@@H](CC)CO
InChIInChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h3,8-9H,1,4-7H2,2H3/t8-/m1/s1
InChIKeySKGWHSIXVYWAOD-MRVPVSSYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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 (2R)-2-ethylhex-5-en-1-ol?
The IUPAC name of (2R)-2-ethylhex-5-en-1-ol (CID 11094637) is (2R)-2-ethylhex-5-en-1-ol.
What is the SMILES notation for (2R)-2-ethylhex-5-en-1-ol?
The canonical SMILES for (2R)-2-ethylhex-5-en-1-ol is C=CCC[C@@H](CC)CO.
What is the InChIKey of (2R)-2-ethylhex-5-en-1-ol?
The InChIKey is SKGWHSIXVYWAOD-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h3,8-9H,1,4-7H2,2H3/t8-/m1/s1.
What are the key properties of (2R)-2-ethylhex-5-en-1-ol?
(2R)-2-ethylhex-5-en-1-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethylhex-5-en-1-ol is sourced from PubChem (CID 11094637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).