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

C9H18O — CID 126680874

IUPAC(3R,4S)-2,3,4,5-tetramethyloxane
SMILESCC1COC(C)[C@H](C)[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?/m0/s1
InChIKeyKKZLVDCCWLOEBZ-FDNDLASISA-N
MW142.24 g/mol
LogP2.31
Rot. Bonds

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

(3R,4S)-2,3,4,5-tetramethyloxane (PubChem CID 126680874) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (3R,4S)-2,3,4,5-tetramethyloxane.

Molecular Properties

Compound Name(3R,4S)-2,3,4,5-tetramethyloxane
PubChem CID126680874
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(3R,4S)-2,3,4,5-tetramethyloxane
SMILESCC1COC(C)[C@H](C)[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?/m0/s1
InChIKeyKKZLVDCCWLOEBZ-FDNDLASISA-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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2,3,4,5-tetramethyloxane?
The IUPAC name of (3R,4S)-2,3,4,5-tetramethyloxane (CID 126680874) is (3R,4S)-2,3,4,5-tetramethyloxane.
What is the SMILES notation for (3R,4S)-2,3,4,5-tetramethyloxane?
The canonical SMILES for (3R,4S)-2,3,4,5-tetramethyloxane is CC1COC(C)[C@H](C)[C@H]1C.
What is the InChIKey of (3R,4S)-2,3,4,5-tetramethyloxane?
The InChIKey is KKZLVDCCWLOEBZ-FDNDLASISA-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?/m0/s1.
What are the key properties of (3R,4S)-2,3,4,5-tetramethyloxane?
(3R,4S)-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 (3R,4S)-2,3,4,5-tetramethyloxane is sourced from PubChem (CID 126680874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).