cyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine

C32H59N — CID 157418692

IUPACcyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine
SMILESC1=CCC=C1.CC.CCC.CCC.CCC.CCC.CCc1ccccc1.c1ccncc1
InChIInChI=1S/C8H10.C5H5N.C5H6.4C3H8.C2H6/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;1-2-4-5-3-1;4*1-3-2;1-2/h3-7H,2H2,1H3;1-5H;1-4H,5H2;4*3H2,1-2H3;1-2H3
InChIKeyBPDOPKYZSONYTH-UHFFFAOYSA-N
MW457.83 g/mol
LogP11.52
Rot. Bonds1

About cyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine

cyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine (PubChem CID 157418692) has the molecular formula C32H59N and a molecular weight of 457.83 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine.

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine
PubChem CID157418692
Molecular FormulaC32H59N
Molecular Weight457.83 g/mol
Exact Mass457.46
IUPAC Namecyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine
SMILESC1=CCC=C1.CC.CCC.CCC.CCC.CCC.CCc1ccccc1.c1ccncc1
InChIInChI=1S/C8H10.C5H5N.C5H6.4C3H8.C2H6/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;1-2-4-5-3-1;4*1-3-2;1-2/h3-7H,2H2,1H3;1-5H;1-4H,5H2;4*3H2,1-2H3;1-2H3
InChIKeyBPDOPKYZSONYTH-UHFFFAOYSA-N
XLogP11.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.83
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopenta-1,3-diene;ethane;ethylbenzene
CID 90860127
ethane;ethylbenzene;propane
CID 91199618
ethane;ethylbenzene;methanol
CID 90833594
ethane;ethylbenzene;3-ethylpyridine
CID 145171299
ethane;ethylbenzene
CID 90887003
ethylbenzene;propane;hydroiodide
CID 142182216
ethylcyclodecapentaene
CID 90861705
benzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane
CID 162206246
cumene;cyclopenta-1,3-diene;ethane;1H-indene;propane;pyridine
CID 162104834
ethane;4-ethylpyridine;methanol
CID 143096814
ethane;4-ethylpyridine
CID 142005045
acetylene;ethylbenzene;propane
CID 143490350

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine?
The IUPAC name of cyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine (CID 157418692) is cyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine.
What is the SMILES notation for cyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine?
The canonical SMILES for cyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine is C1=CCC=C1.CC.CCC.CCC.CCC.CCC.CCc1ccccc1.c1ccncc1.
What is the InChIKey of cyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine?
The InChIKey is BPDOPKYZSONYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C5H5N.C5H6.4C3H8.C2H6/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;1-2-4-5-3-1;4*1-3-2;1-2/h3-7H,2H2,1H3;1-5H;1-4H,5H2;4*3H2,1-2H3;1-2H3.
What are the key properties of cyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine?
cyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine has a molecular weight of 457.83 g/mol, XLogP of 11.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine is sourced from PubChem (CID 157418692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).