10-methylsulfanyltricyclo[5.2.1.02,6]decane

C11H18S — CID 89269766

IUPAC10-methylsulfanyltricyclo[5.2.1.02,6]decane
SMILESCSC1C2CCC1C1CCCC12
InChIInChI=1S/C11H18S/c1-12-11-9-5-6-10(11)8-4-2-3-7(8)9/h7-11H,2-6H2,1H3
InChIKeyMLIZVYIQJCEHGX-UHFFFAOYSA-N
MW182.33 g/mol
LogP3.17
Rot. Bonds1

About 10-methylsulfanyltricyclo[5.2.1.02,6]decane

10-methylsulfanyltricyclo[5.2.1.02,6]decane (PubChem CID 89269766) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 10-methylsulfanyltricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name10-methylsulfanyltricyclo[5.2.1.02,6]decane
PubChem CID89269766
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name10-methylsulfanyltricyclo[5.2.1.02,6]decane
SMILESCSC1C2CCC1C1CCCC12
InChIInChI=1S/C11H18S/c1-12-11-9-5-6-10(11)8-4-2-3-7(8)9/h7-11H,2-6H2,1H3
InChIKeyMLIZVYIQJCEHGX-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-methylsulfanyltricyclo[5.2.1.02,6]decane?
The IUPAC name of 10-methylsulfanyltricyclo[5.2.1.02,6]decane (CID 89269766) is 10-methylsulfanyltricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 10-methylsulfanyltricyclo[5.2.1.02,6]decane?
The canonical SMILES for 10-methylsulfanyltricyclo[5.2.1.02,6]decane is CSC1C2CCC1C1CCCC12.
What is the InChIKey of 10-methylsulfanyltricyclo[5.2.1.02,6]decane?
The InChIKey is MLIZVYIQJCEHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c1-12-11-9-5-6-10(11)8-4-2-3-7(8)9/h7-11H,2-6H2,1H3.
What are the key properties of 10-methylsulfanyltricyclo[5.2.1.02,6]decane?
10-methylsulfanyltricyclo[5.2.1.02,6]decane has a molecular weight of 182.33 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylsulfanyltricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 89269766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).