3-(ethoxymethyl)-4-(methoxymethyl)-2-(1-propoxypropan-2-yl)oxolane

C15H30O4 — CID 18346293

IUPAC3-(ethoxymethyl)-4-(methoxymethyl)-2-(1-propoxypropan-2-yl)oxolane
SMILESCCCOCC(C)C1OCC(COC)C1COCC
InChIInChI=1S/C15H30O4/c1-5-7-18-8-12(3)15-14(11-17-6-2)13(9-16-4)10-19-15/h12-15H,5-11H2,1-4H3
InChIKeyHKSHMPFLPTUMBF-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.36
Rot. Bonds10

About 3-(ethoxymethyl)-4-(methoxymethyl)-2-(1-propoxypropan-2-yl)oxolane

3-(ethoxymethyl)-4-(methoxymethyl)-2-(1-propoxypropan-2-yl)oxolane (PubChem CID 18346293) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 3-(ethoxymethyl)-4-(methoxymethyl)-2-(1-propoxypropan-2-yl)oxolane.

Molecular Properties

Compound Name3-(ethoxymethyl)-4-(methoxymethyl)-2-(1-propoxypropan-2-yl)oxolane
PubChem CID18346293
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name3-(ethoxymethyl)-4-(methoxymethyl)-2-(1-propoxypropan-2-yl)oxolane
SMILESCCCOCC(C)C1OCC(COC)C1COCC
InChIInChI=1S/C15H30O4/c1-5-7-18-8-12(3)15-14(11-17-6-2)13(9-16-4)10-19-15/h12-15H,5-11H2,1-4H3
InChIKeyHKSHMPFLPTUMBF-UHFFFAOYSA-N
XLogP2.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-4-(methoxymethyl)-2-(1-propoxypropan-2-yl)oxolane?
The IUPAC name of 3-(ethoxymethyl)-4-(methoxymethyl)-2-(1-propoxypropan-2-yl)oxolane (CID 18346293) is 3-(ethoxymethyl)-4-(methoxymethyl)-2-(1-propoxypropan-2-yl)oxolane.
What is the SMILES notation for 3-(ethoxymethyl)-4-(methoxymethyl)-2-(1-propoxypropan-2-yl)oxolane?
The canonical SMILES for 3-(ethoxymethyl)-4-(methoxymethyl)-2-(1-propoxypropan-2-yl)oxolane is CCCOCC(C)C1OCC(COC)C1COCC.
What is the InChIKey of 3-(ethoxymethyl)-4-(methoxymethyl)-2-(1-propoxypropan-2-yl)oxolane?
The InChIKey is HKSHMPFLPTUMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-5-7-18-8-12(3)15-14(11-17-6-2)13(9-16-4)10-19-15/h12-15H,5-11H2,1-4H3.
What are the key properties of 3-(ethoxymethyl)-4-(methoxymethyl)-2-(1-propoxypropan-2-yl)oxolane?
3-(ethoxymethyl)-4-(methoxymethyl)-2-(1-propoxypropan-2-yl)oxolane has a molecular weight of 274.40 g/mol, XLogP of 2.36, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-4-(methoxymethyl)-2-(1-propoxypropan-2-yl)oxolane is sourced from PubChem (CID 18346293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).