10-methylsulfanyldec-1-ene

C11H22S — CID 10375189

IUPAC10-methylsulfanyldec-1-ene
SMILESC=CCCCCCCCCSC
InChIInChI=1S/C11H22S/c1-3-4-5-6-7-8-9-10-11-12-2/h3H,1,4-11H2,2H3
InChIKeyDJTGCHHKUPEUIH-UHFFFAOYSA-N
MW186.36 g/mol
LogP4.27
Rot. Bonds9

About 10-methylsulfanyldec-1-ene

10-methylsulfanyldec-1-ene (PubChem CID 10375189) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is 10-methylsulfanyldec-1-ene.

Molecular Properties

Compound Name10-methylsulfanyldec-1-ene
PubChem CID10375189
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name10-methylsulfanyldec-1-ene
SMILESC=CCCCCCCCCSC
InChIInChI=1S/C11H22S/c1-3-4-5-6-7-8-9-10-11-12-2/h3H,1,4-11H2,2H3
InChIKeyDJTGCHHKUPEUIH-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
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 10-methylsulfanyldec-1-ene?
The IUPAC name of 10-methylsulfanyldec-1-ene (CID 10375189) is 10-methylsulfanyldec-1-ene.
What is the SMILES notation for 10-methylsulfanyldec-1-ene?
The canonical SMILES for 10-methylsulfanyldec-1-ene is C=CCCCCCCCCSC.
What is the InChIKey of 10-methylsulfanyldec-1-ene?
The InChIKey is DJTGCHHKUPEUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-3-4-5-6-7-8-9-10-11-12-2/h3H,1,4-11H2,2H3.
What are the key properties of 10-methylsulfanyldec-1-ene?
10-methylsulfanyldec-1-ene has a molecular weight of 186.36 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylsulfanyldec-1-ene is sourced from PubChem (CID 10375189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).