(1R)-1,7,7-trimethyl-2-methylsulfanylbicyclo[2.2.1]hept-2-ene

C11H18S — CID 71443158

IUPAC(1R)-1,7,7-trimethyl-2-methylsulfanylbicyclo[2.2.1]hept-2-ene
SMILESCSC1=CC2CC[C@]1(C)C2(C)C
InChIInChI=1S/C11H18S/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h7-8H,5-6H2,1-4H3/t8?,11-/m0/s1
InChIKeyDBJJUQAZRVHYCU-LYNSQETBSA-N
MW182.33 g/mol
LogP3.69
Rot. Bonds1

About (1R)-1,7,7-trimethyl-2-methylsulfanylbicyclo[2.2.1]hept-2-ene

(1R)-1,7,7-trimethyl-2-methylsulfanylbicyclo[2.2.1]hept-2-ene (PubChem CID 71443158) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is (1R)-1,7,7-trimethyl-2-methylsulfanylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1R)-1,7,7-trimethyl-2-methylsulfanylbicyclo[2.2.1]hept-2-ene
PubChem CID71443158
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name(1R)-1,7,7-trimethyl-2-methylsulfanylbicyclo[2.2.1]hept-2-ene
SMILESCSC1=CC2CC[C@]1(C)C2(C)C
InChIInChI=1S/C11H18S/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h7-8H,5-6H2,1-4H3/t8?,11-/m0/s1
InChIKeyDBJJUQAZRVHYCU-LYNSQETBSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1,7,7-trimethyl-2-methylsulfanylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1R)-1,7,7-trimethyl-2-methylsulfanylbicyclo[2.2.1]hept-2-ene (CID 71443158) is (1R)-1,7,7-trimethyl-2-methylsulfanylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1R)-1,7,7-trimethyl-2-methylsulfanylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1R)-1,7,7-trimethyl-2-methylsulfanylbicyclo[2.2.1]hept-2-ene is CSC1=CC2CC[C@]1(C)C2(C)C.
What is the InChIKey of (1R)-1,7,7-trimethyl-2-methylsulfanylbicyclo[2.2.1]hept-2-ene?
The InChIKey is DBJJUQAZRVHYCU-LYNSQETBSA-N. The full InChI is InChI=1S/C11H18S/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h7-8H,5-6H2,1-4H3/t8?,11-/m0/s1.
What are the key properties of (1R)-1,7,7-trimethyl-2-methylsulfanylbicyclo[2.2.1]hept-2-ene?
(1R)-1,7,7-trimethyl-2-methylsulfanylbicyclo[2.2.1]hept-2-ene has a molecular weight of 182.33 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,7,7-trimethyl-2-methylsulfanylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 71443158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).