(2S,4R)-4-methoxy-2,3,4-trimethyloxane

C9H18O2 — CID 89319257

IUPAC(2S,4R)-4-methoxy-2,3,4-trimethyloxane
SMILESCO[C@]1(C)CCO[C@@H](C)C1C
InChIInChI=1S/C9H18O2/c1-7-8(2)11-6-5-9(7,3)10-4/h7-8H,5-6H2,1-4H3/t7?,8-,9+/m0/s1
InChIKeyLQZKTJAEFCBYDO-SXNZSPLWSA-N
MW158.24 g/mol
LogP1.84
Rot. Bonds1

About (2S,4R)-4-methoxy-2,3,4-trimethyloxane

(2S,4R)-4-methoxy-2,3,4-trimethyloxane (PubChem CID 89319257) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S,4R)-4-methoxy-2,3,4-trimethyloxane.

Molecular Properties

Compound Name(2S,4R)-4-methoxy-2,3,4-trimethyloxane
PubChem CID89319257
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2S,4R)-4-methoxy-2,3,4-trimethyloxane
SMILESCO[C@]1(C)CCO[C@@H](C)C1C
InChIInChI=1S/C9H18O2/c1-7-8(2)11-6-5-9(7,3)10-4/h7-8H,5-6H2,1-4H3/t7?,8-,9+/m0/s1
InChIKeyLQZKTJAEFCBYDO-SXNZSPLWSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-methoxy-2,3,4-trimethyloxane?
The IUPAC name of (2S,4R)-4-methoxy-2,3,4-trimethyloxane (CID 89319257) is (2S,4R)-4-methoxy-2,3,4-trimethyloxane.
What is the SMILES notation for (2S,4R)-4-methoxy-2,3,4-trimethyloxane?
The canonical SMILES for (2S,4R)-4-methoxy-2,3,4-trimethyloxane is CO[C@]1(C)CCO[C@@H](C)C1C.
What is the InChIKey of (2S,4R)-4-methoxy-2,3,4-trimethyloxane?
The InChIKey is LQZKTJAEFCBYDO-SXNZSPLWSA-N. The full InChI is InChI=1S/C9H18O2/c1-7-8(2)11-6-5-9(7,3)10-4/h7-8H,5-6H2,1-4H3/t7?,8-,9+/m0/s1.
What are the key properties of (2S,4R)-4-methoxy-2,3,4-trimethyloxane?
(2S,4R)-4-methoxy-2,3,4-trimethyloxane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-methoxy-2,3,4-trimethyloxane is sourced from PubChem (CID 89319257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).