nonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane

C86H172 — CID 157111538

IUPACnonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane
SMILESC.C.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/9C5H6.C4H10.5C3H8.10C2H6.2CH4/c9*1-2-4-5-3-1;1-4(2)3;5*1-3-2;10*1-2;;/h9*1-4H,5H2;4H,1-3H3;5*3H2,1-2H3;10*1-2H3;2*1H4
InChIKeyAGXINQIPRRLMQR-UHFFFAOYSA-N
MW1206.32 g/mol
LogP33.80
Rot. Bonds

About nonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane

nonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane (PubChem CID 157111538) has the molecular formula C86H172 and a molecular weight of 1206.32 g/mol. Its IUPAC name is nonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane.

Molecular Properties

Compound Namenonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane
PubChem CID157111538
Molecular FormulaC86H172
Molecular Weight1206.32 g/mol
Exact Mass1205.35
IUPAC Namenonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane
SMILESC.C.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/9C5H6.C4H10.5C3H8.10C2H6.2CH4/c9*1-2-4-5-3-1;1-4(2)3;5*1-3-2;10*1-2;;/h9*1-4H,5H2;4H,1-3H3;5*3H2,1-2H3;10*1-2H3;2*1H4
InChIKeyAGXINQIPRRLMQR-UHFFFAOYSA-N
XLogP33.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001206.32
LogP ≤ 533.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of nonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane?
The IUPAC name of nonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane (CID 157111538) is nonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane.
What is the SMILES notation for nonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane?
The canonical SMILES for nonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane is C.C.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CCC.CCC.CCC.CCC.CCC.
What is the InChIKey of nonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane?
The InChIKey is AGXINQIPRRLMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/9C5H6.C4H10.5C3H8.10C2H6.2CH4/c9*1-2-4-5-3-1;1-4(2)3;5*1-3-2;10*1-2;;/h9*1-4H,5H2;4H,1-3H3;5*3H2,1-2H3;10*1-2H3;2*1H4.
What are the key properties of nonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane?
nonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane has a molecular weight of 1206.32 g/mol, XLogP of 33.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane is sourced from PubChem (CID 157111538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).