cyclohexane;2-propan-2-yloxypropane

C12H26O — CID 22558525

IUPACcyclohexane;2-propan-2-yloxypropane
SMILESC1CCCCC1.CC(C)OC(C)C
InChIInChI=1S/C6H14O.C6H12/c1-5(2)7-6(3)4;1-2-4-6-5-3-1/h5-6H,1-4H3;1-6H2
InChIKeyFBKCZNJUQYDVPL-UHFFFAOYSA-N
MW186.34 g/mol
LogP4.16
Rot. Bonds2

About cyclohexane;2-propan-2-yloxypropane

cyclohexane;2-propan-2-yloxypropane (PubChem CID 22558525) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is cyclohexane;2-propan-2-yloxypropane.

Molecular Properties

Compound Namecyclohexane;2-propan-2-yloxypropane
PubChem CID22558525
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Namecyclohexane;2-propan-2-yloxypropane
SMILESC1CCCCC1.CC(C)OC(C)C
InChIInChI=1S/C6H14O.C6H12/c1-5(2)7-6(3)4;1-2-4-6-5-3-1/h5-6H,1-4H3;1-6H2
InChIKeyFBKCZNJUQYDVPL-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cyclohexane;2-propan-2-yloxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexane;2-propan-2-yloxypropane?
The IUPAC name of cyclohexane;2-propan-2-yloxypropane (CID 22558525) is cyclohexane;2-propan-2-yloxypropane.
What is the SMILES notation for cyclohexane;2-propan-2-yloxypropane?
The canonical SMILES for cyclohexane;2-propan-2-yloxypropane is C1CCCCC1.CC(C)OC(C)C.
What is the InChIKey of cyclohexane;2-propan-2-yloxypropane?
The InChIKey is FBKCZNJUQYDVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C6H12/c1-5(2)7-6(3)4;1-2-4-6-5-3-1/h5-6H,1-4H3;1-6H2.
What are the key properties of cyclohexane;2-propan-2-yloxypropane?
cyclohexane;2-propan-2-yloxypropane has a molecular weight of 186.34 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;2-propan-2-yloxypropane is sourced from PubChem (CID 22558525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).