cyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine

C113H286N6O3S — CID 162002858

IUPACcyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine
SMILESC1CCCC1.C1CCCCC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CNCCN1.C1COCCN1.C1CSCCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C
InChIInChI=1S/C6H12.C5H11N.C5H10O.C5H10.C4H10N2.C4H9NO.C4H9NS.C4H9N.C4H8O.9C4H10.18C2H6/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;2*1-3-6-4-2-5-1;2*1-2-4-5-3-1;9*1-4(2)3;18*1-2/h1-6H2;6H,1-5H2;1-5H2;1-5H2;5-6H,1-4H2;2*5H,1-4H2;5H,1-4H2;1-4H2;9*4H,1-3H3;18*1-2H3
InChIKeyYSLFALHNKRODGF-UHFFFAOYSA-N
MW1809.64 g/mol
LogP39.94
Rot. Bonds

About cyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine

cyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine (PubChem CID 162002858) has the molecular formula C113H286N6O3S and a molecular weight of 1809.64 g/mol. Its IUPAC name is cyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine.

Molecular Properties

Compound Namecyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine
PubChem CID162002858
Molecular FormulaC113H286N6O3S
Molecular Weight1809.64 g/mol
Exact Mass1808.21
IUPAC Namecyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine
SMILESC1CCCC1.C1CCCCC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CNCCN1.C1COCCN1.C1CSCCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C
InChIInChI=1S/C6H12.C5H11N.C5H10O.C5H10.C4H10N2.C4H9NO.C4H9NS.C4H9N.C4H8O.9C4H10.18C2H6/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;2*1-3-6-4-2-5-1;2*1-2-4-5-3-1;9*1-4(2)3;18*1-2/h1-6H2;6H,1-5H2;1-5H2;1-5H2;5-6H,1-4H2;2*5H,1-4H2;5H,1-4H2;1-4H2;9*4H,1-3H3;18*1-2H3
InChIKeyYSLFALHNKRODGF-UHFFFAOYSA-N
XLogP39.94
TPSA99.87 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001809.64
LogP ≤ 539.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze cyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine with MolForge

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Related Compounds

oxepane;piperazine;thiomorpholine
CID 160642361
cyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane
CID 159787478
azepane;cyclohexane;ethane;oxane;piperidine
CID 165096040
1-oxa-4,16-diazacyclohenicosane
CID 66747485
morpholine;oxane;piperidine
CID 143301989
azepane;bicyclo[2.2.2]octane;cycloheptane;1,4-diazepane;ethane;pentakis(2-methylpropane);1,4-oxazepane
CID 160559147
imidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine
CID 162108136
azepane;ethane;molecular hydrogen;oxepane
CID 145351859
tetrakis(2-methylpropane);oxane;oxolane;thiane;thiolane
CID 161150896
azepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane
CID 157321050
cyclopentane;oxolane;pyrrolidine
CID 161204353
piperidine;thiomorpholine
CID 144791977

Frequently Asked Questions

What is the IUPAC name of cyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine?
The IUPAC name of cyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine (CID 162002858) is cyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine.
What is the SMILES notation for cyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine?
The canonical SMILES for cyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine is C1CCCC1.C1CCCCC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CNCCN1.C1COCCN1.C1CSCCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.
What is the InChIKey of cyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine?
The InChIKey is YSLFALHNKRODGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H11N.C5H10O.C5H10.C4H10N2.C4H9NO.C4H9NS.C4H9N.C4H8O.9C4H10.18C2H6/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;2*1-3-6-4-2-5-1;2*1-2-4-5-3-1;9*1-4(2)3;18*1-2/h1-6H2;6H,1-5H2;1-5H2;1-5H2;5-6H,1-4H2;2*5H,1-4H2;5H,1-4H2;1-4H2;9*4H,1-3H3;18*1-2H3.
What are the key properties of cyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine?
cyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine has a molecular weight of 1809.64 g/mol, XLogP of 39.94, 0 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine is sourced from PubChem (CID 162002858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).