(2S,3R)-2,3,4,6-tetramethyloxane

C9H18O — CID 162125825

IUPAC(2S,3R)-2,3,4,6-tetramethyloxane
SMILESCC1CC(C)[C@@H](C)[C@H](C)O1
InChIInChI=1S/C9H18O/c1-6-5-7(2)10-9(4)8(6)3/h6-9H,5H2,1-4H3/t6?,7?,8-,9+/m1/s1
InChIKeyZHZYTXSSPUQACZ-YNTFGVKOSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds

About (2S,3R)-2,3,4,6-tetramethyloxane

(2S,3R)-2,3,4,6-tetramethyloxane (PubChem CID 162125825) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (2S,3R)-2,3,4,6-tetramethyloxane.

Molecular Properties

Compound Name(2S,3R)-2,3,4,6-tetramethyloxane
PubChem CID162125825
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(2S,3R)-2,3,4,6-tetramethyloxane
SMILESCC1CC(C)[C@@H](C)[C@H](C)O1
InChIInChI=1S/C9H18O/c1-6-5-7(2)10-9(4)8(6)3/h6-9H,5H2,1-4H3/t6?,7?,8-,9+/m1/s1
InChIKeyZHZYTXSSPUQACZ-YNTFGVKOSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3,4,6-tetramethyloxane?
The IUPAC name of (2S,3R)-2,3,4,6-tetramethyloxane (CID 162125825) is (2S,3R)-2,3,4,6-tetramethyloxane.
What is the SMILES notation for (2S,3R)-2,3,4,6-tetramethyloxane?
The canonical SMILES for (2S,3R)-2,3,4,6-tetramethyloxane is CC1CC(C)[C@@H](C)[C@H](C)O1.
What is the InChIKey of (2S,3R)-2,3,4,6-tetramethyloxane?
The InChIKey is ZHZYTXSSPUQACZ-YNTFGVKOSA-N. The full InChI is InChI=1S/C9H18O/c1-6-5-7(2)10-9(4)8(6)3/h6-9H,5H2,1-4H3/t6?,7?,8-,9+/m1/s1.
What are the key properties of (2S,3R)-2,3,4,6-tetramethyloxane?
(2S,3R)-2,3,4,6-tetramethyloxane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3,4,6-tetramethyloxane is sourced from PubChem (CID 162125825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).