(2S,5S)-2-(methoxymethyl)-3,4,5-trimethyloxolane

C9H18O2 — CID 54483234

IUPAC(2S,5S)-2-(methoxymethyl)-3,4,5-trimethyloxolane
SMILESCOC[C@H]1O[C@@H](C)C(C)C1C
InChIInChI=1S/C9H18O2/c1-6-7(2)9(5-10-4)11-8(6)3/h6-9H,5H2,1-4H3/t6?,7?,8-,9+/m0/s1
InChIKeyXQMLREYHDMAELA-ABIFROTESA-N
MW158.24 g/mol
LogP1.69
Rot. Bonds2

About (2S,5S)-2-(methoxymethyl)-3,4,5-trimethyloxolane

(2S,5S)-2-(methoxymethyl)-3,4,5-trimethyloxolane (PubChem CID 54483234) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S,5S)-2-(methoxymethyl)-3,4,5-trimethyloxolane.

Molecular Properties

Compound Name(2S,5S)-2-(methoxymethyl)-3,4,5-trimethyloxolane
PubChem CID54483234
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2S,5S)-2-(methoxymethyl)-3,4,5-trimethyloxolane
SMILESCOC[C@H]1O[C@@H](C)C(C)C1C
InChIInChI=1S/C9H18O2/c1-6-7(2)9(5-10-4)11-8(6)3/h6-9H,5H2,1-4H3/t6?,7?,8-,9+/m0/s1
InChIKeyXQMLREYHDMAELA-ABIFROTESA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-(methoxymethyl)-3,4,5-trimethyloxolane?
The IUPAC name of (2S,5S)-2-(methoxymethyl)-3,4,5-trimethyloxolane (CID 54483234) is (2S,5S)-2-(methoxymethyl)-3,4,5-trimethyloxolane.
What is the SMILES notation for (2S,5S)-2-(methoxymethyl)-3,4,5-trimethyloxolane?
The canonical SMILES for (2S,5S)-2-(methoxymethyl)-3,4,5-trimethyloxolane is COC[C@H]1O[C@@H](C)C(C)C1C.
What is the InChIKey of (2S,5S)-2-(methoxymethyl)-3,4,5-trimethyloxolane?
The InChIKey is XQMLREYHDMAELA-ABIFROTESA-N. The full InChI is InChI=1S/C9H18O2/c1-6-7(2)9(5-10-4)11-8(6)3/h6-9H,5H2,1-4H3/t6?,7?,8-,9+/m0/s1.
What are the key properties of (2S,5S)-2-(methoxymethyl)-3,4,5-trimethyloxolane?
(2S,5S)-2-(methoxymethyl)-3,4,5-trimethyloxolane has a molecular weight of 158.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-(methoxymethyl)-3,4,5-trimethyloxolane is sourced from PubChem (CID 54483234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).