(Z)-oct-2-en-1-ol

C8H16O — CID 5364959

IUPAC(Z)-oct-2-en-1-ol
SMILESCCCCC/C=C\CO
InChIInChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6-
InChIKeyAYQPVPFZWIQERS-SREVYHEPSA-N
MW128.21 g/mol
LogP2.12
Rot. Bonds5

About (Z)-oct-2-en-1-ol

(Z)-oct-2-en-1-ol (PubChem CID 5364959) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (Z)-oct-2-en-1-ol.

Molecular Properties

Compound Name(Z)-oct-2-en-1-ol
PubChem CID5364959
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(Z)-oct-2-en-1-ol
SMILESCCCCC/C=C\CO
InChIInChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6-
InChIKeyAYQPVPFZWIQERS-SREVYHEPSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-oct-2-en-1-ol?
The IUPAC name of (Z)-oct-2-en-1-ol (CID 5364959) is (Z)-oct-2-en-1-ol.
What is the SMILES notation for (Z)-oct-2-en-1-ol?
The canonical SMILES for (Z)-oct-2-en-1-ol is CCCCC/C=C\CO.
What is the InChIKey of (Z)-oct-2-en-1-ol?
The InChIKey is AYQPVPFZWIQERS-SREVYHEPSA-N. The full InChI is InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6-.
What are the key properties of (Z)-oct-2-en-1-ol?
(Z)-oct-2-en-1-ol has a molecular weight of 128.21 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-oct-2-en-1-ol is sourced from PubChem (CID 5364959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).