1-tert-butyl-4-(2-methylbut-3-en-2-yloxy)cyclohexane

C15H28O — CID 123499678

IUPAC1-tert-butyl-4-(2-methylbut-3-en-2-yloxy)cyclohexane
SMILESC=CC(C)(C)OC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H28O/c1-7-15(5,6)16-13-10-8-12(9-11-13)14(2,3)4/h7,12-13H,1,8-11H2,2-6H3
InChIKeyUJAKESYWMJSJMN-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.57
Rot. Bonds3

About 1-tert-butyl-4-(2-methylbut-3-en-2-yloxy)cyclohexane

1-tert-butyl-4-(2-methylbut-3-en-2-yloxy)cyclohexane (PubChem CID 123499678) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methylbut-3-en-2-yloxy)cyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-(2-methylbut-3-en-2-yloxy)cyclohexane
PubChem CID123499678
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-tert-butyl-4-(2-methylbut-3-en-2-yloxy)cyclohexane
SMILESC=CC(C)(C)OC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H28O/c1-7-15(5,6)16-13-10-8-12(9-11-13)14(2,3)4/h7,12-13H,1,8-11H2,2-6H3
InChIKeyUJAKESYWMJSJMN-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-methylbut-3-en-2-yloxy)cyclohexane?
The IUPAC name of 1-tert-butyl-4-(2-methylbut-3-en-2-yloxy)cyclohexane (CID 123499678) is 1-tert-butyl-4-(2-methylbut-3-en-2-yloxy)cyclohexane.
What is the SMILES notation for 1-tert-butyl-4-(2-methylbut-3-en-2-yloxy)cyclohexane?
The canonical SMILES for 1-tert-butyl-4-(2-methylbut-3-en-2-yloxy)cyclohexane is C=CC(C)(C)OC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(2-methylbut-3-en-2-yloxy)cyclohexane?
The InChIKey is UJAKESYWMJSJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-7-15(5,6)16-13-10-8-12(9-11-13)14(2,3)4/h7,12-13H,1,8-11H2,2-6H3.
What are the key properties of 1-tert-butyl-4-(2-methylbut-3-en-2-yloxy)cyclohexane?
1-tert-butyl-4-(2-methylbut-3-en-2-yloxy)cyclohexane has a molecular weight of 224.39 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-methylbut-3-en-2-yloxy)cyclohexane is sourced from PubChem (CID 123499678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).