4-cyclohexyl-2-propan-2-ylthiolane

C13H24S — CID 135139834

IUPAC4-cyclohexyl-2-propan-2-ylthiolane
SMILESCC(C)C1CC(C2CCCCC2)CS1
InChIInChI=1S/C13H24S/c1-10(2)13-8-12(9-14-13)11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3
InChIKeyWOXOLCSCBGETHL-UHFFFAOYSA-N
MW212.40 g/mol
LogP4.34
Rot. Bonds2

About 4-cyclohexyl-2-propan-2-ylthiolane

4-cyclohexyl-2-propan-2-ylthiolane (PubChem CID 135139834) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is 4-cyclohexyl-2-propan-2-ylthiolane.

Molecular Properties

Compound Name4-cyclohexyl-2-propan-2-ylthiolane
PubChem CID135139834
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name4-cyclohexyl-2-propan-2-ylthiolane
SMILESCC(C)C1CC(C2CCCCC2)CS1
InChIInChI=1S/C13H24S/c1-10(2)13-8-12(9-14-13)11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3
InChIKeyWOXOLCSCBGETHL-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-propan-2-ylthiirane;hydrochloride
CID 175181688
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)
CID 161375940
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
(1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane
CID 58358740
(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
azane;cyclohexylcyclohexane
CID 66583255
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-propan-2-ylthiolane?
The IUPAC name of 4-cyclohexyl-2-propan-2-ylthiolane (CID 135139834) is 4-cyclohexyl-2-propan-2-ylthiolane.
What is the SMILES notation for 4-cyclohexyl-2-propan-2-ylthiolane?
The canonical SMILES for 4-cyclohexyl-2-propan-2-ylthiolane is CC(C)C1CC(C2CCCCC2)CS1.
What is the InChIKey of 4-cyclohexyl-2-propan-2-ylthiolane?
The InChIKey is WOXOLCSCBGETHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S/c1-10(2)13-8-12(9-14-13)11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 4-cyclohexyl-2-propan-2-ylthiolane?
4-cyclohexyl-2-propan-2-ylthiolane has a molecular weight of 212.40 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-propan-2-ylthiolane is sourced from PubChem (CID 135139834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).