2-(5-methyl-2-propan-2-ylcyclohexyl)oxythiolane

C14H26OS — CID 22447601

IUPAC2-(5-methyl-2-propan-2-ylcyclohexyl)oxythiolane
SMILESCC1CCC(C(C)C)C(OC2CCCS2)C1
InChIInChI=1S/C14H26OS/c1-10(2)12-7-6-11(3)9-13(12)15-14-5-4-8-16-14/h10-14H,4-9H2,1-3H3
InChIKeyJRMCXIKQGDXWLF-UHFFFAOYSA-N
MW242.43 g/mol
LogP4.32
Rot. Bonds3

About 2-(5-methyl-2-propan-2-ylcyclohexyl)oxythiolane

2-(5-methyl-2-propan-2-ylcyclohexyl)oxythiolane (PubChem CID 22447601) has the molecular formula C14H26OS and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxythiolane.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxythiolane
PubChem CID22447601
Molecular FormulaC14H26OS
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxythiolane
SMILESCC1CCC(C(C)C)C(OC2CCCS2)C1
InChIInChI=1S/C14H26OS/c1-10(2)12-7-6-11(3)9-13(12)15-14-5-4-8-16-14/h10-14H,4-9H2,1-3H3
InChIKeyJRMCXIKQGDXWLF-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxythiolane?
The IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxythiolane (CID 22447601) is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxythiolane.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxythiolane?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxythiolane is CC1CCC(C(C)C)C(OC2CCCS2)C1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxythiolane?
The InChIKey is JRMCXIKQGDXWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OS/c1-10(2)12-7-6-11(3)9-13(12)15-14-5-4-8-16-14/h10-14H,4-9H2,1-3H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxythiolane?
2-(5-methyl-2-propan-2-ylcyclohexyl)oxythiolane has a molecular weight of 242.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxythiolane is sourced from PubChem (CID 22447601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).