3-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]heptane

C17H36O3 — CID 88620771

IUPAC3-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]heptane
SMILESCCCCC(CC)COC(COC(C)C)COC(C)C
InChIInChI=1S/C17H36O3/c1-7-9-10-16(8-2)11-20-17(12-18-14(3)4)13-19-15(5)6/h14-17H,7-13H2,1-6H3
InChIKeyDREZOTNUUIJZIR-UHFFFAOYSA-N
MW288.47 g/mol
LogP4.44
Rot. Bonds13

About 3-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]heptane

3-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]heptane (PubChem CID 88620771) has the molecular formula C17H36O3 and a molecular weight of 288.47 g/mol. Its IUPAC name is 3-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]heptane.

Molecular Properties

Compound Name3-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]heptane
PubChem CID88620771
Molecular FormulaC17H36O3
Molecular Weight288.47 g/mol
Exact Mass288.27
IUPAC Name3-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]heptane
SMILESCCCCC(CC)COC(COC(C)C)COC(C)C
InChIInChI=1S/C17H36O3/c1-7-9-10-16(8-2)11-20-17(12-18-14(3)4)13-19-15(5)6/h14-17H,7-13H2,1-6H3
InChIKeyDREZOTNUUIJZIR-UHFFFAOYSA-N
XLogP4.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]heptane?
The IUPAC name of 3-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]heptane (CID 88620771) is 3-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]heptane.
What is the SMILES notation for 3-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]heptane?
The canonical SMILES for 3-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]heptane is CCCCC(CC)COC(COC(C)C)COC(C)C.
What is the InChIKey of 3-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]heptane?
The InChIKey is DREZOTNUUIJZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3/c1-7-9-10-16(8-2)11-20-17(12-18-14(3)4)13-19-15(5)6/h14-17H,7-13H2,1-6H3.
What are the key properties of 3-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]heptane?
3-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]heptane has a molecular weight of 288.47 g/mol, XLogP of 4.44, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]heptane is sourced from PubChem (CID 88620771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).