(1R)-1-ethenylsulfanyl-3-methylbicyclo[3.2.0]heptane

C10H16S — CID 134492610

IUPAC(1R)-1-ethenylsulfanyl-3-methylbicyclo[3.2.0]heptane
SMILESC=CS[C@@]12CCC1CC(C)C2
InChIInChI=1S/C10H16S/c1-3-11-10-5-4-9(10)6-8(2)7-10/h3,8-9H,1,4-7H2,2H3/t8?,9?,10-/m1/s1
InChIKeyVVWGWSLRUHCIRF-UDNWOFFPSA-N
MW168.31 g/mol
LogP3.44
Rot. Bonds2

About (1R)-1-ethenylsulfanyl-3-methylbicyclo[3.2.0]heptane

(1R)-1-ethenylsulfanyl-3-methylbicyclo[3.2.0]heptane (PubChem CID 134492610) has the molecular formula C10H16S and a molecular weight of 168.31 g/mol. Its IUPAC name is (1R)-1-ethenylsulfanyl-3-methylbicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1R)-1-ethenylsulfanyl-3-methylbicyclo[3.2.0]heptane
PubChem CID134492610
Molecular FormulaC10H16S
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name(1R)-1-ethenylsulfanyl-3-methylbicyclo[3.2.0]heptane
SMILESC=CS[C@@]12CCC1CC(C)C2
InChIInChI=1S/C10H16S/c1-3-11-10-5-4-9(10)6-8(2)7-10/h3,8-9H,1,4-7H2,2H3/t8?,9?,10-/m1/s1
InChIKeyVVWGWSLRUHCIRF-UDNWOFFPSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-ethenylsulfanyl-3-methylbicyclo[3.2.0]heptane?
The IUPAC name of (1R)-1-ethenylsulfanyl-3-methylbicyclo[3.2.0]heptane (CID 134492610) is (1R)-1-ethenylsulfanyl-3-methylbicyclo[3.2.0]heptane.
What is the SMILES notation for (1R)-1-ethenylsulfanyl-3-methylbicyclo[3.2.0]heptane?
The canonical SMILES for (1R)-1-ethenylsulfanyl-3-methylbicyclo[3.2.0]heptane is C=CS[C@@]12CCC1CC(C)C2.
What is the InChIKey of (1R)-1-ethenylsulfanyl-3-methylbicyclo[3.2.0]heptane?
The InChIKey is VVWGWSLRUHCIRF-UDNWOFFPSA-N. The full InChI is InChI=1S/C10H16S/c1-3-11-10-5-4-9(10)6-8(2)7-10/h3,8-9H,1,4-7H2,2H3/t8?,9?,10-/m1/s1.
What are the key properties of (1R)-1-ethenylsulfanyl-3-methylbicyclo[3.2.0]heptane?
(1R)-1-ethenylsulfanyl-3-methylbicyclo[3.2.0]heptane has a molecular weight of 168.31 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-ethenylsulfanyl-3-methylbicyclo[3.2.0]heptane is sourced from PubChem (CID 134492610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).