4,4-dimethyl-1,2-di(propan-2-yloxy)pentane

C13H28O2 — CID 123238488

IUPAC4,4-dimethyl-1,2-di(propan-2-yloxy)pentane
SMILESCC(C)OCC(CC(C)(C)C)OC(C)C
InChIInChI=1S/C13H28O2/c1-10(2)14-9-12(15-11(3)4)8-13(5,6)7/h10-12H,8-9H2,1-7H3
InChIKeyVIECEQGAKZLFCK-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.64
Rot. Bonds6

About 4,4-dimethyl-1,2-di(propan-2-yloxy)pentane

4,4-dimethyl-1,2-di(propan-2-yloxy)pentane (PubChem CID 123238488) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 4,4-dimethyl-1,2-di(propan-2-yloxy)pentane.

Molecular Properties

Compound Name4,4-dimethyl-1,2-di(propan-2-yloxy)pentane
PubChem CID123238488
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name4,4-dimethyl-1,2-di(propan-2-yloxy)pentane
SMILESCC(C)OCC(CC(C)(C)C)OC(C)C
InChIInChI=1S/C13H28O2/c1-10(2)14-9-12(15-11(3)4)8-13(5,6)7/h10-12H,8-9H2,1-7H3
InChIKeyVIECEQGAKZLFCK-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,2-di(propan-2-yloxy)pentane?
The IUPAC name of 4,4-dimethyl-1,2-di(propan-2-yloxy)pentane (CID 123238488) is 4,4-dimethyl-1,2-di(propan-2-yloxy)pentane.
What is the SMILES notation for 4,4-dimethyl-1,2-di(propan-2-yloxy)pentane?
The canonical SMILES for 4,4-dimethyl-1,2-di(propan-2-yloxy)pentane is CC(C)OCC(CC(C)(C)C)OC(C)C.
What is the InChIKey of 4,4-dimethyl-1,2-di(propan-2-yloxy)pentane?
The InChIKey is VIECEQGAKZLFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-10(2)14-9-12(15-11(3)4)8-13(5,6)7/h10-12H,8-9H2,1-7H3.
What are the key properties of 4,4-dimethyl-1,2-di(propan-2-yloxy)pentane?
4,4-dimethyl-1,2-di(propan-2-yloxy)pentane has a molecular weight of 216.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,2-di(propan-2-yloxy)pentane is sourced from PubChem (CID 123238488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).