(2S,4S)-3-methoxy-2,4-dimethyloxane

C8H16O2 — CID 89243507

IUPAC(2S,4S)-3-methoxy-2,4-dimethyloxane
SMILESCOC1[C@H](C)OCC[C@@H]1C
InChIInChI=1S/C8H16O2/c1-6-4-5-10-7(2)8(6)9-3/h6-8H,4-5H2,1-3H3/t6-,7-,8?/m0/s1
InChIKeyHGCQDZAIENYVAZ-WPZUCAASSA-N
MW144.21 g/mol
LogP1.45
Rot. Bonds1

About (2S,4S)-3-methoxy-2,4-dimethyloxane

(2S,4S)-3-methoxy-2,4-dimethyloxane (PubChem CID 89243507) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2S,4S)-3-methoxy-2,4-dimethyloxane.

Molecular Properties

Compound Name(2S,4S)-3-methoxy-2,4-dimethyloxane
PubChem CID89243507
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2S,4S)-3-methoxy-2,4-dimethyloxane
SMILESCOC1[C@H](C)OCC[C@@H]1C
InChIInChI=1S/C8H16O2/c1-6-4-5-10-7(2)8(6)9-3/h6-8H,4-5H2,1-3H3/t6-,7-,8?/m0/s1
InChIKeyHGCQDZAIENYVAZ-WPZUCAASSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-3-methoxy-2,4-dimethyloxane?
The IUPAC name of (2S,4S)-3-methoxy-2,4-dimethyloxane (CID 89243507) is (2S,4S)-3-methoxy-2,4-dimethyloxane.
What is the SMILES notation for (2S,4S)-3-methoxy-2,4-dimethyloxane?
The canonical SMILES for (2S,4S)-3-methoxy-2,4-dimethyloxane is COC1[C@H](C)OCC[C@@H]1C.
What is the InChIKey of (2S,4S)-3-methoxy-2,4-dimethyloxane?
The InChIKey is HGCQDZAIENYVAZ-WPZUCAASSA-N. The full InChI is InChI=1S/C8H16O2/c1-6-4-5-10-7(2)8(6)9-3/h6-8H,4-5H2,1-3H3/t6-,7-,8?/m0/s1.
What are the key properties of (2S,4S)-3-methoxy-2,4-dimethyloxane?
(2S,4S)-3-methoxy-2,4-dimethyloxane has a molecular weight of 144.21 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-3-methoxy-2,4-dimethyloxane is sourced from PubChem (CID 89243507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).