1,2,3,4,5-penta(propan-2-yl)cyclopenta-1,3-diene

C20H36 — CID 15696316

IUPAC1,2,3,4,5-penta(propan-2-yl)cyclopenta-1,3-diene
SMILESCC(C)C1=C(C(C)C)C(C(C)C)C(C(C)C)=C1C(C)C
InChIInChI=1S/C20H36/c1-11(2)16-17(12(3)4)19(14(7)8)20(15(9)10)18(16)13(5)6/h11-16H,1-10H3
InChIKeyLUIIVEGMECTVBC-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.49
Rot. Bonds5

About 1,2,3,4,5-penta(propan-2-yl)cyclopenta-1,3-diene

1,2,3,4,5-penta(propan-2-yl)cyclopenta-1,3-diene (PubChem CID 15696316) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 1,2,3,4,5-penta(propan-2-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5-penta(propan-2-yl)cyclopenta-1,3-diene
PubChem CID15696316
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name1,2,3,4,5-penta(propan-2-yl)cyclopenta-1,3-diene
SMILESCC(C)C1=C(C(C)C)C(C(C)C)C(C(C)C)=C1C(C)C
InChIInChI=1S/C20H36/c1-11(2)16-17(12(3)4)19(14(7)8)20(15(9)10)18(16)13(5)6/h11-16H,1-10H3
InChIKeyLUIIVEGMECTVBC-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-penta(propan-2-yl)cyclopenta-1,3-diene?
The IUPAC name of 1,2,3,4,5-penta(propan-2-yl)cyclopenta-1,3-diene (CID 15696316) is 1,2,3,4,5-penta(propan-2-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,4,5-penta(propan-2-yl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,4,5-penta(propan-2-yl)cyclopenta-1,3-diene is CC(C)C1=C(C(C)C)C(C(C)C)C(C(C)C)=C1C(C)C.
What is the InChIKey of 1,2,3,4,5-penta(propan-2-yl)cyclopenta-1,3-diene?
The InChIKey is LUIIVEGMECTVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-11(2)16-17(12(3)4)19(14(7)8)20(15(9)10)18(16)13(5)6/h11-16H,1-10H3.
What are the key properties of 1,2,3,4,5-penta(propan-2-yl)cyclopenta-1,3-diene?
1,2,3,4,5-penta(propan-2-yl)cyclopenta-1,3-diene has a molecular weight of 276.51 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-penta(propan-2-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 15696316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).