3-ethyl-3-[[(2R)-2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propoxy]methyl]oxetane

C17H32O5 — CID 70972930

IUPAC3-ethyl-3-[[(2R)-2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propoxy]methyl]oxetane
SMILESCCC1(COCCO[C@H](C)COCC2(CC)COC2)COC1
InChIInChI=1S/C17H32O5/c1-4-16(11-20-12-16)9-18-6-7-22-15(3)8-19-10-17(5-2)13-21-14-17/h15H,4-14H2,1-3H3/t15-/m1/s1
InChIKeyNACDZDGHLZMVSM-OAHLLOKOSA-N
MW316.44 g/mol
LogP2.28
Rot. Bonds12

About 3-ethyl-3-[[(2R)-2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propoxy]methyl]oxetane

3-ethyl-3-[[(2R)-2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propoxy]methyl]oxetane (PubChem CID 70972930) has the molecular formula C17H32O5 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-ethyl-3-[[(2R)-2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propoxy]methyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[[(2R)-2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propoxy]methyl]oxetane
PubChem CID70972930
Molecular FormulaC17H32O5
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-ethyl-3-[[(2R)-2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propoxy]methyl]oxetane
SMILESCCC1(COCCO[C@H](C)COCC2(CC)COC2)COC1
InChIInChI=1S/C17H32O5/c1-4-16(11-20-12-16)9-18-6-7-22-15(3)8-19-10-17(5-2)13-21-14-17/h15H,4-14H2,1-3H3/t15-/m1/s1
InChIKeyNACDZDGHLZMVSM-OAHLLOKOSA-N
XLogP2.28
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-ethyl-3-[[(2R)-2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propoxy]methyl]oxetane?
The IUPAC name of 3-ethyl-3-[[(2R)-2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propoxy]methyl]oxetane (CID 70972930) is 3-ethyl-3-[[(2R)-2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propoxy]methyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[[(2R)-2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propoxy]methyl]oxetane?
The canonical SMILES for 3-ethyl-3-[[(2R)-2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propoxy]methyl]oxetane is CCC1(COCCO[C@H](C)COCC2(CC)COC2)COC1.
What is the InChIKey of 3-ethyl-3-[[(2R)-2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propoxy]methyl]oxetane?
The InChIKey is NACDZDGHLZMVSM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H32O5/c1-4-16(11-20-12-16)9-18-6-7-22-15(3)8-19-10-17(5-2)13-21-14-17/h15H,4-14H2,1-3H3/t15-/m1/s1.
What are the key properties of 3-ethyl-3-[[(2R)-2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propoxy]methyl]oxetane?
3-ethyl-3-[[(2R)-2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propoxy]methyl]oxetane has a molecular weight of 316.44 g/mol, XLogP of 2.28, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[(2R)-2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]propoxy]methyl]oxetane is sourced from PubChem (CID 70972930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).