(2S,3S,4R,5S)-2,3,4,5-tetramethyloxane

C9H18O — CID 25166630

IUPAC(2S,3S,4R,5S)-2,3,4,5-tetramethyloxane
SMILESC[C@H]1[C@H](C)[C@H](C)OC[C@H]1C
InChIInChI=1S/C9H18O/c1-6-5-10-9(4)8(3)7(6)2/h6-9H,5H2,1-4H3/t6-,7-,8+,9+/m1/s1
InChIKeyKKZLVDCCWLOEBZ-HXFLIBJXSA-N
MW142.24 g/mol
LogP2.31
Rot. Bonds

About (2S,3S,4R,5S)-2,3,4,5-tetramethyloxane

(2S,3S,4R,5S)-2,3,4,5-tetramethyloxane (PubChem CID 25166630) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (2S,3S,4R,5S)-2,3,4,5-tetramethyloxane.

Molecular Properties

Compound Name(2S,3S,4R,5S)-2,3,4,5-tetramethyloxane
PubChem CID25166630
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(2S,3S,4R,5S)-2,3,4,5-tetramethyloxane
SMILESC[C@H]1[C@H](C)[C@H](C)OC[C@H]1C
InChIInChI=1S/C9H18O/c1-6-5-10-9(4)8(3)7(6)2/h6-9H,5H2,1-4H3/t6-,7-,8+,9+/m1/s1
InChIKeyKKZLVDCCWLOEBZ-HXFLIBJXSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S,3S,4R,5S)-2,3,4,5-tetramethyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-2,3,4,5-tetramethyloxane?
The IUPAC name of (2S,3S,4R,5S)-2,3,4,5-tetramethyloxane (CID 25166630) is (2S,3S,4R,5S)-2,3,4,5-tetramethyloxane.
What is the SMILES notation for (2S,3S,4R,5S)-2,3,4,5-tetramethyloxane?
The canonical SMILES for (2S,3S,4R,5S)-2,3,4,5-tetramethyloxane is C[C@H]1[C@H](C)[C@H](C)OC[C@H]1C.
What is the InChIKey of (2S,3S,4R,5S)-2,3,4,5-tetramethyloxane?
The InChIKey is KKZLVDCCWLOEBZ-HXFLIBJXSA-N. The full InChI is InChI=1S/C9H18O/c1-6-5-10-9(4)8(3)7(6)2/h6-9H,5H2,1-4H3/t6-,7-,8+,9+/m1/s1.
What are the key properties of (2S,3S,4R,5S)-2,3,4,5-tetramethyloxane?
(2S,3S,4R,5S)-2,3,4,5-tetramethyloxane has a molecular weight of 142.24 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-2,3,4,5-tetramethyloxane is sourced from PubChem (CID 25166630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).