3,4,5,6-tetramethyloxan-2-olate

C9H17O2- — CID 23534154

IUPAC3,4,5,6-tetramethyloxan-2-olate
SMILESCC1OC([O-])C(C)C(C)C1C
InChIInChI=1S/C9H17O2/c1-5-6(2)8(4)11-9(10)7(5)3/h5-9H,1-4H3/q-1
InChIKeyLCKQMQBZHDVDJL-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.00
Rot. Bonds

About 3,4,5,6-tetramethyloxan-2-olate

3,4,5,6-tetramethyloxan-2-olate (PubChem CID 23534154) has the molecular formula C9H17O2- and a molecular weight of 157.23 g/mol. Its IUPAC name is 3,4,5,6-tetramethyloxan-2-olate.

Molecular Properties

Compound Name3,4,5,6-tetramethyloxan-2-olate
PubChem CID23534154
Molecular FormulaC9H17O2-
Molecular Weight157.23 g/mol
Exact Mass157.12
IUPAC Name3,4,5,6-tetramethyloxan-2-olate
SMILESCC1OC([O-])C(C)C(C)C1C
InChIInChI=1S/C9H17O2/c1-5-6(2)8(4)11-9(10)7(5)3/h5-9H,1-4H3/q-1
InChIKeyLCKQMQBZHDVDJL-UHFFFAOYSA-N
XLogP1.00
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetramethyloxan-2-olate?
The IUPAC name of 3,4,5,6-tetramethyloxan-2-olate (CID 23534154) is 3,4,5,6-tetramethyloxan-2-olate.
What is the SMILES notation for 3,4,5,6-tetramethyloxan-2-olate?
The canonical SMILES for 3,4,5,6-tetramethyloxan-2-olate is CC1OC([O-])C(C)C(C)C1C.
What is the InChIKey of 3,4,5,6-tetramethyloxan-2-olate?
The InChIKey is LCKQMQBZHDVDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O2/c1-5-6(2)8(4)11-9(10)7(5)3/h5-9H,1-4H3/q-1.
What are the key properties of 3,4,5,6-tetramethyloxan-2-olate?
3,4,5,6-tetramethyloxan-2-olate has a molecular weight of 157.23 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetramethyloxan-2-olate is sourced from PubChem (CID 23534154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).