3-(2-methylpropyl)-5-(propan-2-yloxymethyl)oxane

C13H26O2 — CID 139317359

IUPAC3-(2-methylpropyl)-5-(propan-2-yloxymethyl)oxane
SMILESCC(C)CC1COCC(COC(C)C)C1
InChIInChI=1S/C13H26O2/c1-10(2)5-12-6-13(8-14-7-12)9-15-11(3)4/h10-13H,5-9H2,1-4H3
InChIKeyJRPZRFIRLDEVBO-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.11
Rot. Bonds5

About 3-(2-methylpropyl)-5-(propan-2-yloxymethyl)oxane

3-(2-methylpropyl)-5-(propan-2-yloxymethyl)oxane (PubChem CID 139317359) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-(propan-2-yloxymethyl)oxane.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-(propan-2-yloxymethyl)oxane
PubChem CID139317359
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name3-(2-methylpropyl)-5-(propan-2-yloxymethyl)oxane
SMILESCC(C)CC1COCC(COC(C)C)C1
InChIInChI=1S/C13H26O2/c1-10(2)5-12-6-13(8-14-7-12)9-15-11(3)4/h10-13H,5-9H2,1-4H3
InChIKeyJRPZRFIRLDEVBO-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-(propan-2-yloxymethyl)oxane?
The IUPAC name of 3-(2-methylpropyl)-5-(propan-2-yloxymethyl)oxane (CID 139317359) is 3-(2-methylpropyl)-5-(propan-2-yloxymethyl)oxane.
What is the SMILES notation for 3-(2-methylpropyl)-5-(propan-2-yloxymethyl)oxane?
The canonical SMILES for 3-(2-methylpropyl)-5-(propan-2-yloxymethyl)oxane is CC(C)CC1COCC(COC(C)C)C1.
What is the InChIKey of 3-(2-methylpropyl)-5-(propan-2-yloxymethyl)oxane?
The InChIKey is JRPZRFIRLDEVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-10(2)5-12-6-13(8-14-7-12)9-15-11(3)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 3-(2-methylpropyl)-5-(propan-2-yloxymethyl)oxane?
3-(2-methylpropyl)-5-(propan-2-yloxymethyl)oxane has a molecular weight of 214.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-(propan-2-yloxymethyl)oxane is sourced from PubChem (CID 139317359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).