2-(dimethoxymethyl)-3-methyloxolane

C8H16O3 — CID 101048404

IUPAC2-(dimethoxymethyl)-3-methyloxolane
SMILESCOC(OC)C1OCCC1C
InChIInChI=1S/C8H16O3/c1-6-4-5-11-7(6)8(9-2)10-3/h6-8H,4-5H2,1-3H3
InChIKeyCTTNYZOOTXNDDY-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.03
Rot. Bonds3

About 2-(dimethoxymethyl)-3-methyloxolane

2-(dimethoxymethyl)-3-methyloxolane (PubChem CID 101048404) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-3-methyloxolane.

Molecular Properties

Compound Name2-(dimethoxymethyl)-3-methyloxolane
PubChem CID101048404
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-(dimethoxymethyl)-3-methyloxolane
SMILESCOC(OC)C1OCCC1C
InChIInChI=1S/C8H16O3/c1-6-4-5-11-7(6)8(9-2)10-3/h6-8H,4-5H2,1-3H3
InChIKeyCTTNYZOOTXNDDY-UHFFFAOYSA-N
XLogP1.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-3-methyloxolane?
The IUPAC name of 2-(dimethoxymethyl)-3-methyloxolane (CID 101048404) is 2-(dimethoxymethyl)-3-methyloxolane.
What is the SMILES notation for 2-(dimethoxymethyl)-3-methyloxolane?
The canonical SMILES for 2-(dimethoxymethyl)-3-methyloxolane is COC(OC)C1OCCC1C.
What is the InChIKey of 2-(dimethoxymethyl)-3-methyloxolane?
The InChIKey is CTTNYZOOTXNDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-6-4-5-11-7(6)8(9-2)10-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-(dimethoxymethyl)-3-methyloxolane?
2-(dimethoxymethyl)-3-methyloxolane has a molecular weight of 160.21 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-3-methyloxolane is sourced from PubChem (CID 101048404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).