2-butyl-6-methoxy-3,4,5-trimethyloxane

C13H26O2 — CID 54194283

IUPAC2-butyl-6-methoxy-3,4,5-trimethyloxane
SMILESCCCCC1OC(OC)C(C)C(C)C1C
InChIInChI=1S/C13H26O2/c1-6-7-8-12-10(3)9(2)11(4)13(14-5)15-12/h9-13H,6-8H2,1-5H3
InChIKeyPKRSOGFSTOVPGA-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.46
Rot. Bonds4

About 2-butyl-6-methoxy-3,4,5-trimethyloxane

2-butyl-6-methoxy-3,4,5-trimethyloxane (PubChem CID 54194283) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-butyl-6-methoxy-3,4,5-trimethyloxane.

Molecular Properties

Compound Name2-butyl-6-methoxy-3,4,5-trimethyloxane
PubChem CID54194283
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-butyl-6-methoxy-3,4,5-trimethyloxane
SMILESCCCCC1OC(OC)C(C)C(C)C1C
InChIInChI=1S/C13H26O2/c1-6-7-8-12-10(3)9(2)11(4)13(14-5)15-12/h9-13H,6-8H2,1-5H3
InChIKeyPKRSOGFSTOVPGA-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-methoxy-3,4,5-trimethyloxane?
The IUPAC name of 2-butyl-6-methoxy-3,4,5-trimethyloxane (CID 54194283) is 2-butyl-6-methoxy-3,4,5-trimethyloxane.
What is the SMILES notation for 2-butyl-6-methoxy-3,4,5-trimethyloxane?
The canonical SMILES for 2-butyl-6-methoxy-3,4,5-trimethyloxane is CCCCC1OC(OC)C(C)C(C)C1C.
What is the InChIKey of 2-butyl-6-methoxy-3,4,5-trimethyloxane?
The InChIKey is PKRSOGFSTOVPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-6-7-8-12-10(3)9(2)11(4)13(14-5)15-12/h9-13H,6-8H2,1-5H3.
What are the key properties of 2-butyl-6-methoxy-3,4,5-trimethyloxane?
2-butyl-6-methoxy-3,4,5-trimethyloxane has a molecular weight of 214.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-methoxy-3,4,5-trimethyloxane is sourced from PubChem (CID 54194283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).