(Z,2S)-2-ethylhex-4-en-1-ol

C8H16O — CID 89381426

IUPAC(Z,2S)-2-ethylhex-4-en-1-ol
SMILESC/C=C\C[C@H](CC)CO
InChIInChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h3,5,8-9H,4,6-7H2,1-2H3/b5-3-/t8-/m0/s1
InChIKeyUYBHMVMLMUZBSU-NHLYECAPSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds4

About (Z,2S)-2-ethylhex-4-en-1-ol

(Z,2S)-2-ethylhex-4-en-1-ol (PubChem CID 89381426) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (Z,2S)-2-ethylhex-4-en-1-ol.

Molecular Properties

Compound Name(Z,2S)-2-ethylhex-4-en-1-ol
PubChem CID89381426
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(Z,2S)-2-ethylhex-4-en-1-ol
SMILESC/C=C\C[C@H](CC)CO
InChIInChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h3,5,8-9H,4,6-7H2,1-2H3/b5-3-/t8-/m0/s1
InChIKeyUYBHMVMLMUZBSU-NHLYECAPSA-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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Related Compounds

5-ethyloct-2-ene
CID 54276882
(E,2S)-2-prop-2-ynylhex-4-en-1-ol
CID 139218208
(E,2R)-2-aminohex-4-en-1-ol
CID 11344006
(E)-5-methylhept-2-ene
CID 5364849
5-butylnon-2-ene
CID 175055679
2-(fluoromethyl)butan-1-ol
CID 59510838
(Z,2S)-3-ethylhept-5-en-2-ol
CID 89085981
2-ethyloct-5-en-1-ol
CID 54387692
(E,2R)-2-ethylhex-4-enoic acid
CID 11579146
(E)-3-aminooct-6-en-4-ol
CID 20676249
(2R,3R,4R,5S)-dec-8-ene-1,2,3,4,5,6-hexol
CID 141460109
5-ethyl-6-methylhept-2-ene
CID 54081587

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-2-ethylhex-4-en-1-ol?
The IUPAC name of (Z,2S)-2-ethylhex-4-en-1-ol (CID 89381426) is (Z,2S)-2-ethylhex-4-en-1-ol.
What is the SMILES notation for (Z,2S)-2-ethylhex-4-en-1-ol?
The canonical SMILES for (Z,2S)-2-ethylhex-4-en-1-ol is C/C=C\C[C@H](CC)CO.
What is the InChIKey of (Z,2S)-2-ethylhex-4-en-1-ol?
The InChIKey is UYBHMVMLMUZBSU-NHLYECAPSA-N. The full InChI is InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h3,5,8-9H,4,6-7H2,1-2H3/b5-3-/t8-/m0/s1.
What are the key properties of (Z,2S)-2-ethylhex-4-en-1-ol?
(Z,2S)-2-ethylhex-4-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 (Z,2S)-2-ethylhex-4-en-1-ol is sourced from PubChem (CID 89381426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).