(2S,4R)-2-(methoxymethyl)-4-methyloxolane

C7H14O2 — CID 146559112

IUPAC(2S,4R)-2-(methoxymethyl)-4-methyloxolane
SMILESCOC[C@@H]1C[C@@H](C)CO1
InChIInChI=1S/C7H14O2/c1-6-3-7(5-8-2)9-4-6/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyCKUCPRPZBCVEHN-RQJHMYQMSA-N
MW130.19 g/mol
LogP1.06
Rot. Bonds2

About (2S,4R)-2-(methoxymethyl)-4-methyloxolane

(2S,4R)-2-(methoxymethyl)-4-methyloxolane (PubChem CID 146559112) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (2S,4R)-2-(methoxymethyl)-4-methyloxolane.

Molecular Properties

Compound Name(2S,4R)-2-(methoxymethyl)-4-methyloxolane
PubChem CID146559112
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(2S,4R)-2-(methoxymethyl)-4-methyloxolane
SMILESCOC[C@@H]1C[C@@H](C)CO1
InChIInChI=1S/C7H14O2/c1-6-3-7(5-8-2)9-4-6/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyCKUCPRPZBCVEHN-RQJHMYQMSA-N
XLogP1.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(methoxymethyl)-4-methyloxolane?
The IUPAC name of (2S,4R)-2-(methoxymethyl)-4-methyloxolane (CID 146559112) is (2S,4R)-2-(methoxymethyl)-4-methyloxolane.
What is the SMILES notation for (2S,4R)-2-(methoxymethyl)-4-methyloxolane?
The canonical SMILES for (2S,4R)-2-(methoxymethyl)-4-methyloxolane is COC[C@@H]1C[C@@H](C)CO1.
What is the InChIKey of (2S,4R)-2-(methoxymethyl)-4-methyloxolane?
The InChIKey is CKUCPRPZBCVEHN-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H14O2/c1-6-3-7(5-8-2)9-4-6/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-2-(methoxymethyl)-4-methyloxolane?
(2S,4R)-2-(methoxymethyl)-4-methyloxolane has a molecular weight of 130.19 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(methoxymethyl)-4-methyloxolane is sourced from PubChem (CID 146559112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).