1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane

C15H30 — CID 57162506

IUPAC1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
SMILESCCC(C)(C)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30/c1-7-15(5,6)13-10-8-12(9-11-13)14(2,3)4/h12-13H,7-11H2,1-6H3
InChIKeySXRSUNZKCSYIGY-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.28
Rot. Bonds2

About 1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane

1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane (PubChem CID 57162506) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
PubChem CID57162506
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
SMILESCCC(C)(C)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30/c1-7-15(5,6)13-10-8-12(9-11-13)14(2,3)4/h12-13H,7-11H2,1-6H3
InChIKeySXRSUNZKCSYIGY-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane?
The IUPAC name of 1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane (CID 57162506) is 1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane.
What is the SMILES notation for 1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane?
The canonical SMILES for 1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane is CCC(C)(C)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane?
The InChIKey is SXRSUNZKCSYIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-7-15(5,6)13-10-8-12(9-11-13)14(2,3)4/h12-13H,7-11H2,1-6H3.
What are the key properties of 1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane?
1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane has a molecular weight of 210.40 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane is sourced from PubChem (CID 57162506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).