5-tert-butyl-1,1,3-trimethyl-2H-pentalene

C15H22 — CID 86662536

IUPAC5-tert-butyl-1,1,3-trimethyl-2H-pentalene
SMILESCC1=C2C=C(C(C)(C)C)C=C2C(C)(C)C1
InChIInChI=1S/C15H22/c1-10-9-15(5,6)13-8-11(7-12(10)13)14(2,3)4/h7-8H,9H2,1-6H3
InChIKeyCAWUEEJHWGDCNW-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.65
Rot. Bonds

About 5-tert-butyl-1,1,3-trimethyl-2H-pentalene

5-tert-butyl-1,1,3-trimethyl-2H-pentalene (PubChem CID 86662536) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 5-tert-butyl-1,1,3-trimethyl-2H-pentalene.

Molecular Properties

Compound Name5-tert-butyl-1,1,3-trimethyl-2H-pentalene
PubChem CID86662536
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name5-tert-butyl-1,1,3-trimethyl-2H-pentalene
SMILESCC1=C2C=C(C(C)(C)C)C=C2C(C)(C)C1
InChIInChI=1S/C15H22/c1-10-9-15(5,6)13-8-11(7-12(10)13)14(2,3)4/h7-8H,9H2,1-6H3
InChIKeyCAWUEEJHWGDCNW-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,1,3-trimethyl-2H-pentalene?
The IUPAC name of 5-tert-butyl-1,1,3-trimethyl-2H-pentalene (CID 86662536) is 5-tert-butyl-1,1,3-trimethyl-2H-pentalene.
What is the SMILES notation for 5-tert-butyl-1,1,3-trimethyl-2H-pentalene?
The canonical SMILES for 5-tert-butyl-1,1,3-trimethyl-2H-pentalene is CC1=C2C=C(C(C)(C)C)C=C2C(C)(C)C1.
What is the InChIKey of 5-tert-butyl-1,1,3-trimethyl-2H-pentalene?
The InChIKey is CAWUEEJHWGDCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-10-9-15(5,6)13-8-11(7-12(10)13)14(2,3)4/h7-8H,9H2,1-6H3.
What are the key properties of 5-tert-butyl-1,1,3-trimethyl-2H-pentalene?
5-tert-butyl-1,1,3-trimethyl-2H-pentalene has a molecular weight of 202.34 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,1,3-trimethyl-2H-pentalene is sourced from PubChem (CID 86662536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).