4-tert-butyl-2-(2,2-dimethylpropyl)cyclopenta-1,4-dien-1-ol

C14H24O — CID 146230285

IUPAC4-tert-butyl-2-(2,2-dimethylpropyl)cyclopenta-1,4-dien-1-ol
SMILESCC(C)(C)CC1=C(O)C=C(C(C)(C)C)C1
InChIInChI=1S/C14H24O/c1-13(2,3)9-10-7-11(8-12(10)15)14(4,5)6/h8,15H,7,9H2,1-6H3
InChIKeyVOMYWZXHYRGMBZ-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.61
Rot. Bonds1

About 4-tert-butyl-2-(2,2-dimethylpropyl)cyclopenta-1,4-dien-1-ol

4-tert-butyl-2-(2,2-dimethylpropyl)cyclopenta-1,4-dien-1-ol (PubChem CID 146230285) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 4-tert-butyl-2-(2,2-dimethylpropyl)cyclopenta-1,4-dien-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-(2,2-dimethylpropyl)cyclopenta-1,4-dien-1-ol
PubChem CID146230285
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name4-tert-butyl-2-(2,2-dimethylpropyl)cyclopenta-1,4-dien-1-ol
SMILESCC(C)(C)CC1=C(O)C=C(C(C)(C)C)C1
InChIInChI=1S/C14H24O/c1-13(2,3)9-10-7-11(8-12(10)15)14(4,5)6/h8,15H,7,9H2,1-6H3
InChIKeyVOMYWZXHYRGMBZ-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2,2-dimethylpropyl)cyclopenta-1,4-dien-1-ol?
The IUPAC name of 4-tert-butyl-2-(2,2-dimethylpropyl)cyclopenta-1,4-dien-1-ol (CID 146230285) is 4-tert-butyl-2-(2,2-dimethylpropyl)cyclopenta-1,4-dien-1-ol.
What is the SMILES notation for 4-tert-butyl-2-(2,2-dimethylpropyl)cyclopenta-1,4-dien-1-ol?
The canonical SMILES for 4-tert-butyl-2-(2,2-dimethylpropyl)cyclopenta-1,4-dien-1-ol is CC(C)(C)CC1=C(O)C=C(C(C)(C)C)C1.
What is the InChIKey of 4-tert-butyl-2-(2,2-dimethylpropyl)cyclopenta-1,4-dien-1-ol?
The InChIKey is VOMYWZXHYRGMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-13(2,3)9-10-7-11(8-12(10)15)14(4,5)6/h8,15H,7,9H2,1-6H3.
What are the key properties of 4-tert-butyl-2-(2,2-dimethylpropyl)cyclopenta-1,4-dien-1-ol?
4-tert-butyl-2-(2,2-dimethylpropyl)cyclopenta-1,4-dien-1-ol has a molecular weight of 208.34 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2,2-dimethylpropyl)cyclopenta-1,4-dien-1-ol is sourced from PubChem (CID 146230285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).