propane;1,2,3,5-tetramethyl-4-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene

C22H36 — CID 54181642

IUPACpropane;1,2,3,5-tetramethyl-4-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
SMILESCC1=C(C)C(C)C(CC2=C(C)C(C)=C(C)C2C)=C1C.CCC
InChIInChI=1S/C19H28.C3H8/c1-10-11(2)15(6)18(14(10)5)9-19-16(7)12(3)13(4)17(19)8;1-3-2/h14,16H,9H2,1-8H3;3H2,1-2H3
InChIKeyPCFHKDXOZDFHBZ-UHFFFAOYSA-N
MW300.53 g/mol
LogP7.40
Rot. Bonds2

About propane;1,2,3,5-tetramethyl-4-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene

propane;1,2,3,5-tetramethyl-4-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene (PubChem CID 54181642) has the molecular formula C22H36 and a molecular weight of 300.53 g/mol. Its IUPAC name is propane;1,2,3,5-tetramethyl-4-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Namepropane;1,2,3,5-tetramethyl-4-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
PubChem CID54181642
Molecular FormulaC22H36
Molecular Weight300.53 g/mol
Exact Mass300.28
IUPAC Namepropane;1,2,3,5-tetramethyl-4-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
SMILESCC1=C(C)C(C)C(CC2=C(C)C(C)=C(C)C2C)=C1C.CCC
InChIInChI=1S/C19H28.C3H8/c1-10-11(2)15(6)18(14(10)5)9-19-16(7)12(3)13(4)17(19)8;1-3-2/h14,16H,9H2,1-8H3;3H2,1-2H3
InChIKeyPCFHKDXOZDFHBZ-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of propane;1,2,3,5-tetramethyl-4-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene?
The IUPAC name of propane;1,2,3,5-tetramethyl-4-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene (CID 54181642) is propane;1,2,3,5-tetramethyl-4-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene.
What is the SMILES notation for propane;1,2,3,5-tetramethyl-4-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene?
The canonical SMILES for propane;1,2,3,5-tetramethyl-4-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene is CC1=C(C)C(C)C(CC2=C(C)C(C)=C(C)C2C)=C1C.CCC.
What is the InChIKey of propane;1,2,3,5-tetramethyl-4-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene?
The InChIKey is PCFHKDXOZDFHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28.C3H8/c1-10-11(2)15(6)18(14(10)5)9-19-16(7)12(3)13(4)17(19)8;1-3-2/h14,16H,9H2,1-8H3;3H2,1-2H3.
What are the key properties of propane;1,2,3,5-tetramethyl-4-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene?
propane;1,2,3,5-tetramethyl-4-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene has a molecular weight of 300.53 g/mol, XLogP of 7.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;1,2,3,5-tetramethyl-4-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene is sourced from PubChem (CID 54181642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).