2-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane

C13H24OS — CID 91538248

IUPAC2-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane
SMILESCC(C)C1CC[C@@H](C)CC1C1OCCS1
InChIInChI=1S/C13H24OS/c1-9(2)11-5-4-10(3)8-12(11)13-14-6-7-15-13/h9-13H,4-8H2,1-3H3/t10-,11?,12?,13?/m1/s1
InChIKeyJBAMMGZRLKKJAM-PEWWYSNMSA-N
MW228.40 g/mol
LogP3.78
Rot. Bonds2

About 2-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane

2-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane (PubChem CID 91538248) has the molecular formula C13H24OS and a molecular weight of 228.40 g/mol. Its IUPAC name is 2-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane.

Molecular Properties

Compound Name2-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane
PubChem CID91538248
Molecular FormulaC13H24OS
Molecular Weight228.40 g/mol
Exact Mass228.15
IUPAC Name2-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane
SMILESCC(C)C1CC[C@@H](C)CC1C1OCCS1
InChIInChI=1S/C13H24OS/c1-9(2)11-5-4-10(3)8-12(11)13-14-6-7-15-13/h9-13H,4-8H2,1-3H3/t10-,11?,12?,13?/m1/s1
InChIKeyJBAMMGZRLKKJAM-PEWWYSNMSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane?
The IUPAC name of 2-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane (CID 91538248) is 2-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane.
What is the SMILES notation for 2-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane?
The canonical SMILES for 2-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane is CC(C)C1CC[C@@H](C)CC1C1OCCS1.
What is the InChIKey of 2-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane?
The InChIKey is JBAMMGZRLKKJAM-PEWWYSNMSA-N. The full InChI is InChI=1S/C13H24OS/c1-9(2)11-5-4-10(3)8-12(11)13-14-6-7-15-13/h9-13H,4-8H2,1-3H3/t10-,11?,12?,13?/m1/s1.
What are the key properties of 2-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane?
2-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane has a molecular weight of 228.40 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane is sourced from PubChem (CID 91538248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).