1-tert-butyl-4-propan-2-yloxycyclohexane

C13H26O — CID 10965500

IUPAC1-tert-butyl-4-propan-2-yloxycyclohexane
SMILESCC(C)OC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H26O/c1-10(2)14-12-8-6-11(7-9-12)13(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyOXJIRGPMHWSKOU-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.02
Rot. Bonds2

About 1-tert-butyl-4-propan-2-yloxycyclohexane

1-tert-butyl-4-propan-2-yloxycyclohexane (PubChem CID 10965500) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-yloxycyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-yloxycyclohexane
PubChem CID10965500
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-tert-butyl-4-propan-2-yloxycyclohexane
SMILESCC(C)OC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H26O/c1-10(2)14-12-8-6-11(7-9-12)13(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyOXJIRGPMHWSKOU-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-yloxycyclohexane?
The IUPAC name of 1-tert-butyl-4-propan-2-yloxycyclohexane (CID 10965500) is 1-tert-butyl-4-propan-2-yloxycyclohexane.
What is the SMILES notation for 1-tert-butyl-4-propan-2-yloxycyclohexane?
The canonical SMILES for 1-tert-butyl-4-propan-2-yloxycyclohexane is CC(C)OC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-propan-2-yloxycyclohexane?
The InChIKey is OXJIRGPMHWSKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-10(2)14-12-8-6-11(7-9-12)13(3,4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-tert-butyl-4-propan-2-yloxycyclohexane?
1-tert-butyl-4-propan-2-yloxycyclohexane has a molecular weight of 198.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-yloxycyclohexane is sourced from PubChem (CID 10965500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).