4,4-ditert-butyl-3,3,5,5-tetramethylcyclopentene;ethane

C19H38 — CID 144805565

IUPAC4,4-ditert-butyl-3,3,5,5-tetramethylcyclopentene;ethane
SMILESCC.CC(C)(C)C1(C(C)(C)C)C(C)(C)C=CC1(C)C
InChIInChI=1S/C17H32.C2H6/c1-13(2,3)17(14(4,5)6)15(7,8)11-12-16(17,9)10;1-2/h11-12H,1-10H3;1-2H3
InChIKeyCIKUZTVRQXPPLT-UHFFFAOYSA-N
MW266.51 g/mol
LogP6.71
Rot. Bonds

About 4,4-ditert-butyl-3,3,5,5-tetramethylcyclopentene;ethane

4,4-ditert-butyl-3,3,5,5-tetramethylcyclopentene;ethane (PubChem CID 144805565) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 4,4-ditert-butyl-3,3,5,5-tetramethylcyclopentene;ethane.

Molecular Properties

Compound Name4,4-ditert-butyl-3,3,5,5-tetramethylcyclopentene;ethane
PubChem CID144805565
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name4,4-ditert-butyl-3,3,5,5-tetramethylcyclopentene;ethane
SMILESCC.CC(C)(C)C1(C(C)(C)C)C(C)(C)C=CC1(C)C
InChIInChI=1S/C17H32.C2H6/c1-13(2,3)17(14(4,5)6)15(7,8)11-12-16(17,9)10;1-2/h11-12H,1-10H3;1-2H3
InChIKeyCIKUZTVRQXPPLT-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,3-ditert-butyl-4,4,5,5-tetramethylcyclopentene;ethane;dihydroiodide
CID 142335748
7-tert-butyl-7-methylcyclohepta-1,3,5-triene
CID 90813280
4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane
CID 144730530
4-tert-butyl-4-methyloxazine
CID 145404738
2,2-difluoropropane;ethane
CID 144524394
7-tert-butyl-7-methyl-3-phenylcyclohepta-1,3,5-triene
CID 143426144
benzene;2,2-dimethylpropane;ethane;methoxymethane
CID 159793869
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 90745193
2,4-ditert-butyl-4-fluorocyclohexa-2,5-dien-1-one
CID 11447436
4-tert-butyl-4-fluorocyclohexa-2,5-dien-1-one
CID 12969847
benzene;ethane
CID 175503526
benzene;ethane
CID 18504552

Frequently Asked Questions

What is the IUPAC name of 4,4-ditert-butyl-3,3,5,5-tetramethylcyclopentene;ethane?
The IUPAC name of 4,4-ditert-butyl-3,3,5,5-tetramethylcyclopentene;ethane (CID 144805565) is 4,4-ditert-butyl-3,3,5,5-tetramethylcyclopentene;ethane.
What is the SMILES notation for 4,4-ditert-butyl-3,3,5,5-tetramethylcyclopentene;ethane?
The canonical SMILES for 4,4-ditert-butyl-3,3,5,5-tetramethylcyclopentene;ethane is CC.CC(C)(C)C1(C(C)(C)C)C(C)(C)C=CC1(C)C.
What is the InChIKey of 4,4-ditert-butyl-3,3,5,5-tetramethylcyclopentene;ethane?
The InChIKey is CIKUZTVRQXPPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32.C2H6/c1-13(2,3)17(14(4,5)6)15(7,8)11-12-16(17,9)10;1-2/h11-12H,1-10H3;1-2H3.
What are the key properties of 4,4-ditert-butyl-3,3,5,5-tetramethylcyclopentene;ethane?
4,4-ditert-butyl-3,3,5,5-tetramethylcyclopentene;ethane has a molecular weight of 266.51 g/mol, XLogP of 6.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-ditert-butyl-3,3,5,5-tetramethylcyclopentene;ethane is sourced from PubChem (CID 144805565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).