4-ethyloct-7-ene-2-thiol

C10H20S — CID 134526669

IUPAC4-ethyloct-7-ene-2-thiol
SMILESC=CCCC(CC)CC(C)S
InChIInChI=1S/C10H20S/c1-4-6-7-10(5-2)8-9(3)11/h4,9-11H,1,5-8H2,2-3H3
InChIKeyXMUVNYWBIAZMDH-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.69
Rot. Bonds6

About 4-ethyloct-7-ene-2-thiol

4-ethyloct-7-ene-2-thiol (PubChem CID 134526669) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 4-ethyloct-7-ene-2-thiol.

Molecular Properties

Compound Name4-ethyloct-7-ene-2-thiol
PubChem CID134526669
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name4-ethyloct-7-ene-2-thiol
SMILESC=CCCC(CC)CC(C)S
InChIInChI=1S/C10H20S/c1-4-6-7-10(5-2)8-9(3)11/h4,9-11H,1,5-8H2,2-3H3
InChIKeyXMUVNYWBIAZMDH-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyloct-7-ene-2-thiol?
The IUPAC name of 4-ethyloct-7-ene-2-thiol (CID 134526669) is 4-ethyloct-7-ene-2-thiol.
What is the SMILES notation for 4-ethyloct-7-ene-2-thiol?
The canonical SMILES for 4-ethyloct-7-ene-2-thiol is C=CCCC(CC)CC(C)S.
What is the InChIKey of 4-ethyloct-7-ene-2-thiol?
The InChIKey is XMUVNYWBIAZMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-4-6-7-10(5-2)8-9(3)11/h4,9-11H,1,5-8H2,2-3H3.
What are the key properties of 4-ethyloct-7-ene-2-thiol?
4-ethyloct-7-ene-2-thiol has a molecular weight of 172.34 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloct-7-ene-2-thiol is sourced from PubChem (CID 134526669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).