(Z)-oct-2-en-4-ol

C8H16O — CID 6436558

IUPAC(Z)-oct-2-en-4-ol
SMILESC/C=C\C(O)CCCC
InChIInChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h4,6,8-9H,3,5,7H2,1-2H3/b6-4-
InChIKeyWGDUEFYADBRNKG-XQRVVYSFSA-N
MW128.21 g/mol
LogP2.11
Rot. Bonds4

About (Z)-oct-2-en-4-ol

(Z)-oct-2-en-4-ol (PubChem CID 6436558) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (Z)-oct-2-en-4-ol.

Molecular Properties

Compound Name(Z)-oct-2-en-4-ol
PubChem CID6436558
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(Z)-oct-2-en-4-ol
SMILESC/C=C\C(O)CCCC
InChIInChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h4,6,8-9H,3,5,7H2,1-2H3/b6-4-
InChIKeyWGDUEFYADBRNKG-XQRVVYSFSA-N
XLogP2.11
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 ≤ 52.11
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 (Z)-oct-2-en-4-ol?
The IUPAC name of (Z)-oct-2-en-4-ol (CID 6436558) is (Z)-oct-2-en-4-ol.
What is the SMILES notation for (Z)-oct-2-en-4-ol?
The canonical SMILES for (Z)-oct-2-en-4-ol is C/C=C\C(O)CCCC.
What is the InChIKey of (Z)-oct-2-en-4-ol?
The InChIKey is WGDUEFYADBRNKG-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h4,6,8-9H,3,5,7H2,1-2H3/b6-4-.
What are the key properties of (Z)-oct-2-en-4-ol?
(Z)-oct-2-en-4-ol has a molecular weight of 128.21 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-oct-2-en-4-ol is sourced from PubChem (CID 6436558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).