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2-[(5-methoxyoxolan-2-yl)methoxy]-3-methyl-5-[(4-methyloxolan-2-yl)oxymethyl]oxolane

C17H30O6 — CID 155081831

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[(5-methoxyoxolan-2-yl)methoxy]-3-methyl-5-[(4-methyloxolan-2-yl)oxymethyl]oxolane
SMILESCOC1CCC(COC2OC(COC3CC(C)CO3)CC2C)O1
InChIInChI=1S/C17H30O6/c1-11-6-16(19-8-11)20-10-14-7-12(2)17(23-14)21-9-13-4-5-15(18-3)22-13/h11-17H,4-10H2,1-3H3
InChIKeyGBEWINFYBDUUBE-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.30
Rot. Bonds7

About 2-[(5-methoxyoxolan-2-yl)methoxy]-3-methyl-5-[(4-methyloxolan-2-yl)oxymethyl]oxolane

2-[(5-methoxyoxolan-2-yl)methoxy]-3-methyl-5-[(4-methyloxolan-2-yl)oxymethyl]oxolane (PubChem CID 155081831) has the molecular formula C17H30O6 and a molecular weight of 330.42 g/mol. Its IUPAC name is 2-[(5-methoxyoxolan-2-yl)methoxy]-3-methyl-5-[(4-methyloxolan-2-yl)oxymethyl]oxolane.

Molecular Properties

Compound Name2-[(5-methoxyoxolan-2-yl)methoxy]-3-methyl-5-[(4-methyloxolan-2-yl)oxymethyl]oxolane
PubChem CID155081831
Molecular FormulaC17H30O6
Molecular Weight330.42 g/mol
Exact Mass330.20
IUPAC Name2-[(5-methoxyoxolan-2-yl)methoxy]-3-methyl-5-[(4-methyloxolan-2-yl)oxymethyl]oxolane
SMILESCOC1CCC(COC2OC(COC3CC(C)CO3)CC2C)O1
InChIInChI=1S/C17H30O6/c1-11-6-16(19-8-11)20-10-14-7-12(2)17(23-14)21-9-13-4-5-15(18-3)22-13/h11-17H,4-10H2,1-3H3
InChIKeyGBEWINFYBDUUBE-UHFFFAOYSA-N
XLogP2.30
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxyoxolan-2-yl)methoxy]-3-methyl-5-[(4-methyloxolan-2-yl)oxymethyl]oxolane?
The IUPAC name of 2-[(5-methoxyoxolan-2-yl)methoxy]-3-methyl-5-[(4-methyloxolan-2-yl)oxymethyl]oxolane (CID 155081831) is 2-[(5-methoxyoxolan-2-yl)methoxy]-3-methyl-5-[(4-methyloxolan-2-yl)oxymethyl]oxolane.
What is the SMILES notation for 2-[(5-methoxyoxolan-2-yl)methoxy]-3-methyl-5-[(4-methyloxolan-2-yl)oxymethyl]oxolane?
The canonical SMILES for 2-[(5-methoxyoxolan-2-yl)methoxy]-3-methyl-5-[(4-methyloxolan-2-yl)oxymethyl]oxolane is COC1CCC(COC2OC(COC3CC(C)CO3)CC2C)O1.
What is the InChIKey of 2-[(5-methoxyoxolan-2-yl)methoxy]-3-methyl-5-[(4-methyloxolan-2-yl)oxymethyl]oxolane?
The InChIKey is GBEWINFYBDUUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O6/c1-11-6-16(19-8-11)20-10-14-7-12(2)17(23-14)21-9-13-4-5-15(18-3)22-13/h11-17H,4-10H2,1-3H3.
What are the key properties of 2-[(5-methoxyoxolan-2-yl)methoxy]-3-methyl-5-[(4-methyloxolan-2-yl)oxymethyl]oxolane?
2-[(5-methoxyoxolan-2-yl)methoxy]-3-methyl-5-[(4-methyloxolan-2-yl)oxymethyl]oxolane has a molecular weight of 330.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxyoxolan-2-yl)methoxy]-3-methyl-5-[(4-methyloxolan-2-yl)oxymethyl]oxolane is sourced from PubChem (CID 155081831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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