3-ethyl-3-(propoxymethyl)oxolane

C10H20O2 — CID 177177735

IUPAC3-ethyl-3-(propoxymethyl)oxolane
SMILESCCCOCC1(CC)CCOC1
InChIInChI=1S/C10H20O2/c1-3-6-11-8-10(4-2)5-7-12-9-10/h3-9H2,1-2H3
InChIKeyTXAWSLIOSXRWOB-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds5

About 3-ethyl-3-(propoxymethyl)oxolane

3-ethyl-3-(propoxymethyl)oxolane (PubChem CID 177177735) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-ethyl-3-(propoxymethyl)oxolane.

Molecular Properties

Compound Name3-ethyl-3-(propoxymethyl)oxolane
PubChem CID177177735
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-ethyl-3-(propoxymethyl)oxolane
SMILESCCCOCC1(CC)CCOC1
InChIInChI=1S/C10H20O2/c1-3-6-11-8-10(4-2)5-7-12-9-10/h3-9H2,1-2H3
InChIKeyTXAWSLIOSXRWOB-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Methoxymethyl)-3-propan-2-yloxolane
CID 138966497
3-(1-Ethoxyethyl)oxolane
CID 11788363
3,3-Bis(propoxymethyl)pentane
CID 21133794
3,3-Bis(ethoxymethyl)pentane
CID 22140515
3-[(2-Ethyl-4-methoxy-2-methylbutoxy)methyl]-1-methoxy-3-(methoxymethyl)pentane
CID 58460597
3-Methyl-3-(4-methylpentoxymethyl)oxolane
CID 58781737
3,3-Diethyloxolane
CID 89018389
3-(Ethoxymethyl)-2-methyloxolane
CID 89027484
3-Ethyl-1-methoxy-3-(methoxymethyl)pentane
CID 89190117
3-Ethyl-3-(7-methoxyheptoxymethyl)oxolane
CID 124143068
1-Methoxy-2-methyl-2-(3-methylpentoxymethyl)butane
CID 138526057
3-(Ethoxymethyl)-3-(methoxymethyl)pentane
CID 140268336

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(propoxymethyl)oxolane?
The IUPAC name of 3-ethyl-3-(propoxymethyl)oxolane (CID 177177735) is 3-ethyl-3-(propoxymethyl)oxolane.
What is the SMILES notation for 3-ethyl-3-(propoxymethyl)oxolane?
The canonical SMILES for 3-ethyl-3-(propoxymethyl)oxolane is CCCOCC1(CC)CCOC1.
What is the InChIKey of 3-ethyl-3-(propoxymethyl)oxolane?
The InChIKey is TXAWSLIOSXRWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-6-11-8-10(4-2)5-7-12-9-10/h3-9H2,1-2H3.
What are the key properties of 3-ethyl-3-(propoxymethyl)oxolane?
3-ethyl-3-(propoxymethyl)oxolane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(propoxymethyl)oxolane is sourced from PubChem (CID 177177735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).