undec-10-ene-1-thiol

C11H22S — CID 15481056

IUPACundec-10-ene-1-thiol
SMILESC=CCCCCCCCCCS
InChIInChI=1S/C11H22S/c1-2-3-4-5-6-7-8-9-10-11-12/h2,12H,1,3-11H2
InChIKeySCHSUGYJBLKWQZ-UHFFFAOYSA-N
MW186.36 g/mol
LogP4.22
Rot. Bonds9

About undec-10-ene-1-thiol

undec-10-ene-1-thiol (PubChem CID 15481056) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is undec-10-ene-1-thiol.

Molecular Properties

Compound Nameundec-10-ene-1-thiol
PubChem CID15481056
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Nameundec-10-ene-1-thiol
SMILESC=CCCCCCCCCCS
InChIInChI=1S/C11H22S/c1-2-3-4-5-6-7-8-9-10-11-12/h2,12H,1,3-11H2
InChIKeySCHSUGYJBLKWQZ-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 54.22
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of undec-10-ene-1-thiol?
The IUPAC name of undec-10-ene-1-thiol (CID 15481056) is undec-10-ene-1-thiol.
What is the SMILES notation for undec-10-ene-1-thiol?
The canonical SMILES for undec-10-ene-1-thiol is C=CCCCCCCCCCS.
What is the InChIKey of undec-10-ene-1-thiol?
The InChIKey is SCHSUGYJBLKWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-2-3-4-5-6-7-8-9-10-11-12/h2,12H,1,3-11H2.
What are the key properties of undec-10-ene-1-thiol?
undec-10-ene-1-thiol has a molecular weight of 186.36 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-ene-1-thiol is sourced from PubChem (CID 15481056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).