2,4-ditert-butyl-1-methylcyclopenta-1,3-diene

C14H24 — CID 150460331

IUPAC2,4-ditert-butyl-1-methylcyclopenta-1,3-diene
SMILESCC1=C(C(C)(C)C)C=C(C(C)(C)C)C1
InChIInChI=1S/C14H24/c1-10-8-11(13(2,3)4)9-12(10)14(5,6)7/h9H,8H2,1-7H3
InChIKeyHPQNVPUSLOIVNP-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.73
Rot. Bonds

About 2,4-ditert-butyl-1-methylcyclopenta-1,3-diene

2,4-ditert-butyl-1-methylcyclopenta-1,3-diene (PubChem CID 150460331) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2,4-ditert-butyl-1-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name2,4-ditert-butyl-1-methylcyclopenta-1,3-diene
PubChem CID150460331
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name2,4-ditert-butyl-1-methylcyclopenta-1,3-diene
SMILESCC1=C(C(C)(C)C)C=C(C(C)(C)C)C1
InChIInChI=1S/C14H24/c1-10-8-11(13(2,3)4)9-12(10)14(5,6)7/h9H,8H2,1-7H3
InChIKeyHPQNVPUSLOIVNP-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-1-methylcyclopenta-1,3-diene?
The IUPAC name of 2,4-ditert-butyl-1-methylcyclopenta-1,3-diene (CID 150460331) is 2,4-ditert-butyl-1-methylcyclopenta-1,3-diene.
What is the SMILES notation for 2,4-ditert-butyl-1-methylcyclopenta-1,3-diene?
The canonical SMILES for 2,4-ditert-butyl-1-methylcyclopenta-1,3-diene is CC1=C(C(C)(C)C)C=C(C(C)(C)C)C1.
What is the InChIKey of 2,4-ditert-butyl-1-methylcyclopenta-1,3-diene?
The InChIKey is HPQNVPUSLOIVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-10-8-11(13(2,3)4)9-12(10)14(5,6)7/h9H,8H2,1-7H3.
What are the key properties of 2,4-ditert-butyl-1-methylcyclopenta-1,3-diene?
2,4-ditert-butyl-1-methylcyclopenta-1,3-diene has a molecular weight of 192.35 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-1-methylcyclopenta-1,3-diene is sourced from PubChem (CID 150460331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).