1,2-di(propan-2-yloxy)hexane

C12H26O2 — CID 71465189

IUPAC1,2-di(propan-2-yloxy)hexane
SMILESCCCCC(COC(C)C)OC(C)C
InChIInChI=1S/C12H26O2/c1-6-7-8-12(14-11(4)5)9-13-10(2)3/h10-12H,6-9H2,1-5H3
InChIKeyFMSPDBKJGNWDIL-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.40
Rot. Bonds8

About 1,2-di(propan-2-yloxy)hexane

1,2-di(propan-2-yloxy)hexane (PubChem CID 71465189) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1,2-di(propan-2-yloxy)hexane.

Molecular Properties

Compound Name1,2-di(propan-2-yloxy)hexane
PubChem CID71465189
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1,2-di(propan-2-yloxy)hexane
SMILESCCCCC(COC(C)C)OC(C)C
InChIInChI=1S/C12H26O2/c1-6-7-8-12(14-11(4)5)9-13-10(2)3/h10-12H,6-9H2,1-5H3
InChIKeyFMSPDBKJGNWDIL-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-di(propan-2-yloxy)hexane 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 1,2-di(propan-2-yloxy)hexane?
The IUPAC name of 1,2-di(propan-2-yloxy)hexane (CID 71465189) is 1,2-di(propan-2-yloxy)hexane.
What is the SMILES notation for 1,2-di(propan-2-yloxy)hexane?
The canonical SMILES for 1,2-di(propan-2-yloxy)hexane is CCCCC(COC(C)C)OC(C)C.
What is the InChIKey of 1,2-di(propan-2-yloxy)hexane?
The InChIKey is FMSPDBKJGNWDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-6-7-8-12(14-11(4)5)9-13-10(2)3/h10-12H,6-9H2,1-5H3.
What are the key properties of 1,2-di(propan-2-yloxy)hexane?
1,2-di(propan-2-yloxy)hexane has a molecular weight of 202.34 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yloxy)hexane is sourced from PubChem (CID 71465189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).