1-(methylsulfanylmethyl)tetracyclo[3.3.1.03,9.07,9]nonane

C11H16S — CID 166727191

IUPAC1-(methylsulfanylmethyl)tetracyclo[3.3.1.03,9.07,9]nonane
SMILESCSCC12CC3CC4CC(C1)C432
InChIInChI=1S/C11H16S/c1-12-6-10-4-8-2-7-3-9(5-10)11(7,8)10/h7-9H,2-6H2,1H3
InChIKeyWRBPBNUDZBVKFY-UHFFFAOYSA-N
MW180.32 g/mol
LogP2.79
Rot. Bonds2

About 1-(methylsulfanylmethyl)tetracyclo[3.3.1.03,9.07,9]nonane

1-(methylsulfanylmethyl)tetracyclo[3.3.1.03,9.07,9]nonane (PubChem CID 166727191) has the molecular formula C11H16S and a molecular weight of 180.32 g/mol. Its IUPAC name is 1-(methylsulfanylmethyl)tetracyclo[3.3.1.03,9.07,9]nonane.

Molecular Properties

Compound Name1-(methylsulfanylmethyl)tetracyclo[3.3.1.03,9.07,9]nonane
PubChem CID166727191
Molecular FormulaC11H16S
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name1-(methylsulfanylmethyl)tetracyclo[3.3.1.03,9.07,9]nonane
SMILESCSCC12CC3CC4CC(C1)C432
InChIInChI=1S/C11H16S/c1-12-6-10-4-8-2-7-3-9(5-10)11(7,8)10/h7-9H,2-6H2,1H3
InChIKeyWRBPBNUDZBVKFY-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfanylmethyl)tetracyclo[3.3.1.03,9.07,9]nonane?
The IUPAC name of 1-(methylsulfanylmethyl)tetracyclo[3.3.1.03,9.07,9]nonane (CID 166727191) is 1-(methylsulfanylmethyl)tetracyclo[3.3.1.03,9.07,9]nonane.
What is the SMILES notation for 1-(methylsulfanylmethyl)tetracyclo[3.3.1.03,9.07,9]nonane?
The canonical SMILES for 1-(methylsulfanylmethyl)tetracyclo[3.3.1.03,9.07,9]nonane is CSCC12CC3CC4CC(C1)C432.
What is the InChIKey of 1-(methylsulfanylmethyl)tetracyclo[3.3.1.03,9.07,9]nonane?
The InChIKey is WRBPBNUDZBVKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16S/c1-12-6-10-4-8-2-7-3-9(5-10)11(7,8)10/h7-9H,2-6H2,1H3.
What are the key properties of 1-(methylsulfanylmethyl)tetracyclo[3.3.1.03,9.07,9]nonane?
1-(methylsulfanylmethyl)tetracyclo[3.3.1.03,9.07,9]nonane has a molecular weight of 180.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfanylmethyl)tetracyclo[3.3.1.03,9.07,9]nonane is sourced from PubChem (CID 166727191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).