(3S,4R,5R)-3-ethyl-4,5-dimethyloxane

C9H18O — CID 118946155

IUPAC(3S,4R,5R)-3-ethyl-4,5-dimethyloxane
SMILESCC[C@@H]1COC[C@H](C)[C@H]1C
InChIInChI=1S/C9H18O/c1-4-9-6-10-5-7(2)8(9)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m0/s1
InChIKeyYUVYIPWBUNEESQ-DJLDLDEBSA-N
MW142.24 g/mol
LogP2.32
Rot. Bonds1

About (3S,4R,5R)-3-ethyl-4,5-dimethyloxane

(3S,4R,5R)-3-ethyl-4,5-dimethyloxane (PubChem CID 118946155) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (3S,4R,5R)-3-ethyl-4,5-dimethyloxane.

Molecular Properties

Compound Name(3S,4R,5R)-3-ethyl-4,5-dimethyloxane
PubChem CID118946155
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(3S,4R,5R)-3-ethyl-4,5-dimethyloxane
SMILESCC[C@@H]1COC[C@H](C)[C@H]1C
InChIInChI=1S/C9H18O/c1-4-9-6-10-5-7(2)8(9)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m0/s1
InChIKeyYUVYIPWBUNEESQ-DJLDLDEBSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3-ethyl-4,5-dimethyloxane?
The IUPAC name of (3S,4R,5R)-3-ethyl-4,5-dimethyloxane (CID 118946155) is (3S,4R,5R)-3-ethyl-4,5-dimethyloxane.
What is the SMILES notation for (3S,4R,5R)-3-ethyl-4,5-dimethyloxane?
The canonical SMILES for (3S,4R,5R)-3-ethyl-4,5-dimethyloxane is CC[C@@H]1COC[C@H](C)[C@H]1C.
What is the InChIKey of (3S,4R,5R)-3-ethyl-4,5-dimethyloxane?
The InChIKey is YUVYIPWBUNEESQ-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H18O/c1-4-9-6-10-5-7(2)8(9)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m0/s1.
What are the key properties of (3S,4R,5R)-3-ethyl-4,5-dimethyloxane?
(3S,4R,5R)-3-ethyl-4,5-dimethyloxane has a molecular weight of 142.24 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3-ethyl-4,5-dimethyloxane is sourced from PubChem (CID 118946155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).