2-ethyl-3-methoxy-4-pentoxyoxolane

C12H24O3 — CID 148653277

IUPAC2-ethyl-3-methoxy-4-pentoxyoxolane
SMILESCCCCCOC1COC(CC)C1OC
InChIInChI=1S/C12H24O3/c1-4-6-7-8-14-11-9-15-10(5-2)12(11)13-3/h10-12H,4-9H2,1-3H3
InChIKeyNMIFZMDGHVQNNU-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.39
Rot. Bonds7

About 2-ethyl-3-methoxy-4-pentoxyoxolane

2-ethyl-3-methoxy-4-pentoxyoxolane (PubChem CID 148653277) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-ethyl-3-methoxy-4-pentoxyoxolane.

Molecular Properties

Compound Name2-ethyl-3-methoxy-4-pentoxyoxolane
PubChem CID148653277
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-ethyl-3-methoxy-4-pentoxyoxolane
SMILESCCCCCOC1COC(CC)C1OC
InChIInChI=1S/C12H24O3/c1-4-6-7-8-14-11-9-15-10(5-2)12(11)13-3/h10-12H,4-9H2,1-3H3
InChIKeyNMIFZMDGHVQNNU-UHFFFAOYSA-N
XLogP2.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine
CID 67672410
[(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol
CID 166042635
2-methoxy-3-pentoxycyclobutan-1-amine
CID 104674665
(3S,6R)-6-pentoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 102301263
(1R,2S,4R)-2-hexoxy-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384631
(3S,3aR,6R,6aR)-6-octoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;(3R,3aR,6S,6aR)-6-octoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 157491589
2-ethyl-3-(hexoxymethyl)oxetane
CID 141321228
2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 19699711
3-[[(3R,6S)-3-hexoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propane-1-sulfonic acid
CID 163776542
3-[[(3R,6S)-3-hexoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propane-1-sulfonate
CID 163776541
[(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol
CID 131019515
[(3R,6R)-3-pentoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] heptanoate
CID 143843117

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methoxy-4-pentoxyoxolane?
The IUPAC name of 2-ethyl-3-methoxy-4-pentoxyoxolane (CID 148653277) is 2-ethyl-3-methoxy-4-pentoxyoxolane.
What is the SMILES notation for 2-ethyl-3-methoxy-4-pentoxyoxolane?
The canonical SMILES for 2-ethyl-3-methoxy-4-pentoxyoxolane is CCCCCOC1COC(CC)C1OC.
What is the InChIKey of 2-ethyl-3-methoxy-4-pentoxyoxolane?
The InChIKey is NMIFZMDGHVQNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-4-6-7-8-14-11-9-15-10(5-2)12(11)13-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-3-methoxy-4-pentoxyoxolane?
2-ethyl-3-methoxy-4-pentoxyoxolane has a molecular weight of 216.32 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methoxy-4-pentoxyoxolane is sourced from PubChem (CID 148653277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).