4-methylsulfanyl-4-propan-2-yloxane

C9H18OS — CID 129153399

IUPAC4-methylsulfanyl-4-propan-2-yloxane
SMILESCSC1(C(C)C)CCOCC1
InChIInChI=1S/C9H18OS/c1-8(2)9(11-3)4-6-10-7-5-9/h8H,4-7H2,1-3H3
InChIKeyQOHMYDZZYWBAEL-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.55
Rot. Bonds2

About 4-methylsulfanyl-4-propan-2-yloxane

4-methylsulfanyl-4-propan-2-yloxane (PubChem CID 129153399) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 4-methylsulfanyl-4-propan-2-yloxane.

Molecular Properties

Compound Name4-methylsulfanyl-4-propan-2-yloxane
PubChem CID129153399
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name4-methylsulfanyl-4-propan-2-yloxane
SMILESCSC1(C(C)C)CCOCC1
InChIInChI=1S/C9H18OS/c1-8(2)9(11-3)4-6-10-7-5-9/h8H,4-7H2,1-3H3
InChIKeyQOHMYDZZYWBAEL-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-4-propan-2-yloxane?
The IUPAC name of 4-methylsulfanyl-4-propan-2-yloxane (CID 129153399) is 4-methylsulfanyl-4-propan-2-yloxane.
What is the SMILES notation for 4-methylsulfanyl-4-propan-2-yloxane?
The canonical SMILES for 4-methylsulfanyl-4-propan-2-yloxane is CSC1(C(C)C)CCOCC1.
What is the InChIKey of 4-methylsulfanyl-4-propan-2-yloxane?
The InChIKey is QOHMYDZZYWBAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-8(2)9(11-3)4-6-10-7-5-9/h8H,4-7H2,1-3H3.
What are the key properties of 4-methylsulfanyl-4-propan-2-yloxane?
4-methylsulfanyl-4-propan-2-yloxane has a molecular weight of 174.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-4-propan-2-yloxane is sourced from PubChem (CID 129153399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).