1-(1,3-thiazol-4-yl)oct-7-en-1-ol

C11H17NOS — CID 107008661

IUPAC1-(1,3-thiazol-4-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1cscn1
InChIInChI=1S/C11H17NOS/c1-2-3-4-5-6-7-11(13)10-8-14-9-12-10/h2,8-9,11,13H,1,3-7H2
InChIKeyKSRURHFKJBOTBU-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.31
Rot. Bonds7

About 1-(1,3-thiazol-4-yl)oct-7-en-1-ol

1-(1,3-thiazol-4-yl)oct-7-en-1-ol (PubChem CID 107008661) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-(1,3-thiazol-4-yl)oct-7-en-1-ol.

Molecular Properties

Compound Name1-(1,3-thiazol-4-yl)oct-7-en-1-ol
PubChem CID107008661
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-(1,3-thiazol-4-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1cscn1
InChIInChI=1S/C11H17NOS/c1-2-3-4-5-6-7-11(13)10-8-14-9-12-10/h2,8-9,11,13H,1,3-7H2
InChIKeyKSRURHFKJBOTBU-UHFFFAOYSA-N
XLogP3.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(1,3-thiazol-4-yl)oct-7-en-1-ol?
The IUPAC name of 1-(1,3-thiazol-4-yl)oct-7-en-1-ol (CID 107008661) is 1-(1,3-thiazol-4-yl)oct-7-en-1-ol.
What is the SMILES notation for 1-(1,3-thiazol-4-yl)oct-7-en-1-ol?
The canonical SMILES for 1-(1,3-thiazol-4-yl)oct-7-en-1-ol is C=CCCCCCC(O)c1cscn1.
What is the InChIKey of 1-(1,3-thiazol-4-yl)oct-7-en-1-ol?
The InChIKey is KSRURHFKJBOTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-2-3-4-5-6-7-11(13)10-8-14-9-12-10/h2,8-9,11,13H,1,3-7H2.
What are the key properties of 1-(1,3-thiazol-4-yl)oct-7-en-1-ol?
1-(1,3-thiazol-4-yl)oct-7-en-1-ol has a molecular weight of 211.33 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-4-yl)oct-7-en-1-ol is sourced from PubChem (CID 107008661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).