cyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane

C80H165N5O5S5 — CID 159787478

IUPACcyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane
SMILESC1CCCC1.C1CCCCC1.C1CCNC1.C1CCNC1.C1CCNCC1.C1CCNCC1.C1CCNCC1.C1CCOC1.C1CCOC1.C1CCOCC1.C1CCOCC1.C1CCOCC1.C1CCSC1.C1CCSC1.C1CCSCC1.C1CCSCC1.C1CCSCC1
InChIInChI=1S/C6H12.3C5H11N.3C5H10O.3C5H10S.C5H10.2C4H9N.2C4H8O.2C4H8S/c10*1-2-4-6-5-3-1;7*1-2-4-5-3-1/h1-6H2;3*6H,1-5H2;6*1-5H2;1-5H2;2*5H,1-4H2;4*1-4H2
InChIKeyNIDDEUBTDAFRED-UHFFFAOYSA-N
MW1437.56 g/mol
LogP21.20
Rot. Bonds

About cyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane

cyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane (PubChem CID 159787478) has the molecular formula C80H165N5O5S5 and a molecular weight of 1437.56 g/mol. Its IUPAC name is cyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane.

Molecular Properties

Compound Namecyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane
PubChem CID159787478
Molecular FormulaC80H165N5O5S5
Molecular Weight1437.56 g/mol
Exact Mass1436.14
IUPAC Namecyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane
SMILESC1CCCC1.C1CCCCC1.C1CCNC1.C1CCNC1.C1CCNCC1.C1CCNCC1.C1CCNCC1.C1CCOC1.C1CCOC1.C1CCOCC1.C1CCOCC1.C1CCOCC1.C1CCSC1.C1CCSC1.C1CCSCC1.C1CCSCC1.C1CCSCC1
InChIInChI=1S/C6H12.3C5H11N.3C5H10O.3C5H10S.C5H10.2C4H9N.2C4H8O.2C4H8S/c10*1-2-4-6-5-3-1;7*1-2-4-5-3-1/h1-6H2;3*6H,1-5H2;6*1-5H2;1-5H2;2*5H,1-4H2;4*1-4H2
InChIKeyNIDDEUBTDAFRED-UHFFFAOYSA-N
XLogP21.20
TPSA106.30 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001437.56
LogP ≤ 521.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

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Related Compounds

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oxane;thiane
CID 67464677
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CID 89462427
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CID 55287589
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CID 174945587
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Frequently Asked Questions

What is the IUPAC name of cyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane?
The IUPAC name of cyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane (CID 159787478) is cyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane.
What is the SMILES notation for cyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane?
The canonical SMILES for cyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane is C1CCCC1.C1CCCCC1.C1CCNC1.C1CCNC1.C1CCNCC1.C1CCNCC1.C1CCNCC1.C1CCOC1.C1CCOC1.C1CCOCC1.C1CCOCC1.C1CCOCC1.C1CCSC1.C1CCSC1.C1CCSCC1.C1CCSCC1.C1CCSCC1.
What is the InChIKey of cyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane?
The InChIKey is NIDDEUBTDAFRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.3C5H11N.3C5H10O.3C5H10S.C5H10.2C4H9N.2C4H8O.2C4H8S/c10*1-2-4-6-5-3-1;7*1-2-4-5-3-1/h1-6H2;3*6H,1-5H2;6*1-5H2;1-5H2;2*5H,1-4H2;4*1-4H2.
What are the key properties of cyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane?
cyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane has a molecular weight of 1437.56 g/mol, XLogP of 21.20, 0 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane is sourced from PubChem (CID 159787478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).