4-tert-butyl-1-methyl-1-propoxycyclohexane

C14H28O — CID 166671963

IUPAC4-tert-butyl-1-methyl-1-propoxycyclohexane
SMILESCCCOC1(C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H28O/c1-6-11-15-14(5)9-7-12(8-10-14)13(2,3)4/h12H,6-11H2,1-5H3
InChIKeyGIQFJFRWNVFIPR-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.41
Rot. Bonds3

About 4-tert-butyl-1-methyl-1-propoxycyclohexane

4-tert-butyl-1-methyl-1-propoxycyclohexane (PubChem CID 166671963) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-tert-butyl-1-methyl-1-propoxycyclohexane.

Molecular Properties

Compound Name4-tert-butyl-1-methyl-1-propoxycyclohexane
PubChem CID166671963
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name4-tert-butyl-1-methyl-1-propoxycyclohexane
SMILESCCCOC1(C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H28O/c1-6-11-15-14(5)9-7-12(8-10-14)13(2,3)4/h12H,6-11H2,1-5H3
InChIKeyGIQFJFRWNVFIPR-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methyl-1-propoxycyclohexane?
The IUPAC name of 4-tert-butyl-1-methyl-1-propoxycyclohexane (CID 166671963) is 4-tert-butyl-1-methyl-1-propoxycyclohexane.
What is the SMILES notation for 4-tert-butyl-1-methyl-1-propoxycyclohexane?
The canonical SMILES for 4-tert-butyl-1-methyl-1-propoxycyclohexane is CCCOC1(C)CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-methyl-1-propoxycyclohexane?
The InChIKey is GIQFJFRWNVFIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-6-11-15-14(5)9-7-12(8-10-14)13(2,3)4/h12H,6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-1-methyl-1-propoxycyclohexane?
4-tert-butyl-1-methyl-1-propoxycyclohexane has a molecular weight of 212.38 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methyl-1-propoxycyclohexane is sourced from PubChem (CID 166671963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).