6-tert-butyl-4-methoxy-2,3,3,4-tetramethyloxane

C14H28O2 — CID 20711558

IUPAC6-tert-butyl-4-methoxy-2,3,3,4-tetramethyloxane
SMILESCOC1(C)CC(C(C)(C)C)OC(C)C1(C)C
InChIInChI=1S/C14H28O2/c1-10-13(5,6)14(7,15-8)9-11(16-10)12(2,3)4/h10-11H,9H2,1-8H3
InChIKeyNLOIXMWWMCJFHF-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.64
Rot. Bonds1

About 6-tert-butyl-4-methoxy-2,3,3,4-tetramethyloxane

6-tert-butyl-4-methoxy-2,3,3,4-tetramethyloxane (PubChem CID 20711558) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 6-tert-butyl-4-methoxy-2,3,3,4-tetramethyloxane.

Molecular Properties

Compound Name6-tert-butyl-4-methoxy-2,3,3,4-tetramethyloxane
PubChem CID20711558
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name6-tert-butyl-4-methoxy-2,3,3,4-tetramethyloxane
SMILESCOC1(C)CC(C(C)(C)C)OC(C)C1(C)C
InChIInChI=1S/C14H28O2/c1-10-13(5,6)14(7,15-8)9-11(16-10)12(2,3)4/h10-11H,9H2,1-8H3
InChIKeyNLOIXMWWMCJFHF-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-methoxy-2,3,3,4-tetramethyloxane?
The IUPAC name of 6-tert-butyl-4-methoxy-2,3,3,4-tetramethyloxane (CID 20711558) is 6-tert-butyl-4-methoxy-2,3,3,4-tetramethyloxane.
What is the SMILES notation for 6-tert-butyl-4-methoxy-2,3,3,4-tetramethyloxane?
The canonical SMILES for 6-tert-butyl-4-methoxy-2,3,3,4-tetramethyloxane is COC1(C)CC(C(C)(C)C)OC(C)C1(C)C.
What is the InChIKey of 6-tert-butyl-4-methoxy-2,3,3,4-tetramethyloxane?
The InChIKey is NLOIXMWWMCJFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-10-13(5,6)14(7,15-8)9-11(16-10)12(2,3)4/h10-11H,9H2,1-8H3.
What are the key properties of 6-tert-butyl-4-methoxy-2,3,3,4-tetramethyloxane?
6-tert-butyl-4-methoxy-2,3,3,4-tetramethyloxane has a molecular weight of 228.38 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-methoxy-2,3,3,4-tetramethyloxane is sourced from PubChem (CID 20711558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).