3-methylsulfanyl-4-propan-2-yloxolane

C8H16OS — CID 129229293

IUPAC3-methylsulfanyl-4-propan-2-yloxolane
SMILESCSC1COCC1C(C)C
InChIInChI=1S/C8H16OS/c1-6(2)7-4-9-5-8(7)10-3/h6-8H,4-5H2,1-3H3
InChIKeyLLRKEMQFVVOYFA-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.02
Rot. Bonds2

About 3-methylsulfanyl-4-propan-2-yloxolane

3-methylsulfanyl-4-propan-2-yloxolane (PubChem CID 129229293) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 3-methylsulfanyl-4-propan-2-yloxolane.

Molecular Properties

Compound Name3-methylsulfanyl-4-propan-2-yloxolane
PubChem CID129229293
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name3-methylsulfanyl-4-propan-2-yloxolane
SMILESCSC1COCC1C(C)C
InChIInChI=1S/C8H16OS/c1-6(2)7-4-9-5-8(7)10-3/h6-8H,4-5H2,1-3H3
InChIKeyLLRKEMQFVVOYFA-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-4-propan-2-yloxolane?
The IUPAC name of 3-methylsulfanyl-4-propan-2-yloxolane (CID 129229293) is 3-methylsulfanyl-4-propan-2-yloxolane.
What is the SMILES notation for 3-methylsulfanyl-4-propan-2-yloxolane?
The canonical SMILES for 3-methylsulfanyl-4-propan-2-yloxolane is CSC1COCC1C(C)C.
What is the InChIKey of 3-methylsulfanyl-4-propan-2-yloxolane?
The InChIKey is LLRKEMQFVVOYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-6(2)7-4-9-5-8(7)10-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-methylsulfanyl-4-propan-2-yloxolane?
3-methylsulfanyl-4-propan-2-yloxolane has a molecular weight of 160.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-4-propan-2-yloxolane is sourced from PubChem (CID 129229293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).