3-(2-bromoprop-2-enylsulfanyl)-2-methyloxolane

C8H13BrOS — CID 131067344

IUPAC3-(2-bromoprop-2-enylsulfanyl)-2-methyloxolane
SMILESC=C(Br)CSC1CCOC1C
InChIInChI=1S/C8H13BrOS/c1-6(9)5-11-8-3-4-10-7(8)2/h7-8H,1,3-5H2,2H3
InChIKeyGJOHTUNFLYSJAZ-UHFFFAOYSA-N
MW237.16 g/mol
LogP2.81
Rot. Bonds3

About 3-(2-bromoprop-2-enylsulfanyl)-2-methyloxolane

3-(2-bromoprop-2-enylsulfanyl)-2-methyloxolane (PubChem CID 131067344) has the molecular formula C8H13BrOS and a molecular weight of 237.16 g/mol. Its IUPAC name is 3-(2-bromoprop-2-enylsulfanyl)-2-methyloxolane.

Molecular Properties

Compound Name3-(2-bromoprop-2-enylsulfanyl)-2-methyloxolane
PubChem CID131067344
Molecular FormulaC8H13BrOS
Molecular Weight237.16 g/mol
Exact Mass235.99
IUPAC Name3-(2-bromoprop-2-enylsulfanyl)-2-methyloxolane
SMILESC=C(Br)CSC1CCOC1C
InChIInChI=1S/C8H13BrOS/c1-6(9)5-11-8-3-4-10-7(8)2/h7-8H,1,3-5H2,2H3
InChIKeyGJOHTUNFLYSJAZ-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.16
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-3-prop-2-enylsulfanyloxolane
CID 126992315

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoprop-2-enylsulfanyl)-2-methyloxolane?
The IUPAC name of 3-(2-bromoprop-2-enylsulfanyl)-2-methyloxolane (CID 131067344) is 3-(2-bromoprop-2-enylsulfanyl)-2-methyloxolane.
What is the SMILES notation for 3-(2-bromoprop-2-enylsulfanyl)-2-methyloxolane?
The canonical SMILES for 3-(2-bromoprop-2-enylsulfanyl)-2-methyloxolane is C=C(Br)CSC1CCOC1C.
What is the InChIKey of 3-(2-bromoprop-2-enylsulfanyl)-2-methyloxolane?
The InChIKey is GJOHTUNFLYSJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrOS/c1-6(9)5-11-8-3-4-10-7(8)2/h7-8H,1,3-5H2,2H3.
What are the key properties of 3-(2-bromoprop-2-enylsulfanyl)-2-methyloxolane?
3-(2-bromoprop-2-enylsulfanyl)-2-methyloxolane has a molecular weight of 237.16 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoprop-2-enylsulfanyl)-2-methyloxolane is sourced from PubChem (CID 131067344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).