benzene;cyclopenta-1,3-diene;ethane;bis(pentane);propane

C35H76 — CID 162102080

IUPACbenzene;cyclopenta-1,3-diene;ethane;bis(pentane);propane
SMILESC1=CCC=C1.CC.CC.CC.CC.CCC.CCC.CCCCC.CCCCC.c1ccccc1
InChIInChI=1S/C6H6.C5H6.2C5H12.2C3H8.4C2H6/c1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-3-5-4-2;2*1-3-2;4*1-2/h1-6H;1-4H,5H2;2*3-5H2,1-2H3;2*3H2,1-2H3;4*1-2H3
InChIKeyZFAFIIKYBLWDMF-UHFFFAOYSA-N
MW496.99 g/mol
LogP14.52
Rot. Bonds4

About benzene;cyclopenta-1,3-diene;ethane;bis(pentane);propane

benzene;cyclopenta-1,3-diene;ethane;bis(pentane);propane (PubChem CID 162102080) has the molecular formula C35H76 and a molecular weight of 496.99 g/mol. Its IUPAC name is benzene;cyclopenta-1,3-diene;ethane;bis(pentane);propane.

Molecular Properties

Compound Namebenzene;cyclopenta-1,3-diene;ethane;bis(pentane);propane
PubChem CID162102080
Molecular FormulaC35H76
Molecular Weight496.99 g/mol
Exact Mass496.59
IUPAC Namebenzene;cyclopenta-1,3-diene;ethane;bis(pentane);propane
SMILESC1=CCC=C1.CC.CC.CC.CC.CCC.CCC.CCCCC.CCCCC.c1ccccc1
InChIInChI=1S/C6H6.C5H6.2C5H12.2C3H8.4C2H6/c1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-3-5-4-2;2*1-3-2;4*1-2/h1-6H;1-4H,5H2;2*3-5H2,1-2H3;2*3H2,1-2H3;4*1-2H3
InChIKeyZFAFIIKYBLWDMF-UHFFFAOYSA-N
XLogP14.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.99
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

sodium;cyclopenta-1,3-diene;octadecane
CID 174898924
but-2-yne;bis(cyclopenta-1,3-diene);ethane;propane
CID 160779523
nonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane
CID 157111538
cyclohexa-1,4-diene;ethane;propane
CID 158923317
ethane;pentane;propane
CID 154691570
cyclopenta-1,3-diene;ethane;ethylbenzene
CID 90860127
CID 159914814
CID 159914814
bis(cyclopenta-1,3-diene);hydride;tungsten(2+)
CID 175878705
benzene;ethane;propane
CID 91481654
pentane;propane
CID 91422342
cyclopenta-1,3-diene;ethane;toluene
CID 90880714
cyclopentane;ethane;pentane
CID 143543629

Frequently Asked Questions

What is the IUPAC name of benzene;cyclopenta-1,3-diene;ethane;bis(pentane);propane?
The IUPAC name of benzene;cyclopenta-1,3-diene;ethane;bis(pentane);propane (CID 162102080) is benzene;cyclopenta-1,3-diene;ethane;bis(pentane);propane.
What is the SMILES notation for benzene;cyclopenta-1,3-diene;ethane;bis(pentane);propane?
The canonical SMILES for benzene;cyclopenta-1,3-diene;ethane;bis(pentane);propane is C1=CCC=C1.CC.CC.CC.CC.CCC.CCC.CCCCC.CCCCC.c1ccccc1.
What is the InChIKey of benzene;cyclopenta-1,3-diene;ethane;bis(pentane);propane?
The InChIKey is ZFAFIIKYBLWDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H6.2C5H12.2C3H8.4C2H6/c1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-3-5-4-2;2*1-3-2;4*1-2/h1-6H;1-4H,5H2;2*3-5H2,1-2H3;2*3H2,1-2H3;4*1-2H3.
What are the key properties of benzene;cyclopenta-1,3-diene;ethane;bis(pentane);propane?
benzene;cyclopenta-1,3-diene;ethane;bis(pentane);propane has a molecular weight of 496.99 g/mol, XLogP of 14.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclopenta-1,3-diene;ethane;bis(pentane);propane is sourced from PubChem (CID 162102080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).