10-methylundec-1-ene-1-thiol

C12H24S — CID 87708620

IUPAC10-methylundec-1-ene-1-thiol
SMILESCC(C)CCCCCCCC=CS
InChIInChI=1S/C12H24S/c1-12(2)10-8-6-4-3-5-7-9-11-13/h9,11-13H,3-8,10H2,1-2H3
InChIKeyLEVGOCPVMVRLFG-UHFFFAOYSA-N
MW200.39 g/mol
LogP4.82
Rot. Bonds8

About 10-methylundec-1-ene-1-thiol

10-methylundec-1-ene-1-thiol (PubChem CID 87708620) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is 10-methylundec-1-ene-1-thiol.

Molecular Properties

Compound Name10-methylundec-1-ene-1-thiol
PubChem CID87708620
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name10-methylundec-1-ene-1-thiol
SMILESCC(C)CCCCCCCC=CS
InChIInChI=1S/C12H24S/c1-12(2)10-8-6-4-3-5-7-9-11-13/h9,11-13H,3-8,10H2,1-2H3
InChIKeyLEVGOCPVMVRLFG-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-methylundec-1-ene-1-thiol?
The IUPAC name of 10-methylundec-1-ene-1-thiol (CID 87708620) is 10-methylundec-1-ene-1-thiol.
What is the SMILES notation for 10-methylundec-1-ene-1-thiol?
The canonical SMILES for 10-methylundec-1-ene-1-thiol is CC(C)CCCCCCCC=CS.
What is the InChIKey of 10-methylundec-1-ene-1-thiol?
The InChIKey is LEVGOCPVMVRLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S/c1-12(2)10-8-6-4-3-5-7-9-11-13/h9,11-13H,3-8,10H2,1-2H3.
What are the key properties of 10-methylundec-1-ene-1-thiol?
10-methylundec-1-ene-1-thiol has a molecular weight of 200.39 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylundec-1-ene-1-thiol is sourced from PubChem (CID 87708620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).