[(5R)-4-butoxy-5-(butoxymethyl)-5-ethyloxolan-3-yl] acetate

C17H32O5 — CID 70985270

IUPAC[(5R)-4-butoxy-5-(butoxymethyl)-5-ethyloxolan-3-yl] acetate
SMILESCCCCOC[C@@]1(CC)OCC(OC(C)=O)C1OCCCC
InChIInChI=1S/C17H32O5/c1-5-8-10-19-13-17(7-3)16(20-11-9-6-2)15(12-21-17)22-14(4)18/h15-16H,5-13H2,1-4H3/t15?,16?,17-/m1/s1
InChIKeyFZKPVWQUKUKTPC-OFLPRAFFSA-N
MW316.44 g/mol
LogP3.10
Rot. Bonds11

About [(5R)-4-butoxy-5-(butoxymethyl)-5-ethyloxolan-3-yl] acetate

[(5R)-4-butoxy-5-(butoxymethyl)-5-ethyloxolan-3-yl] acetate (PubChem CID 70985270) has the molecular formula C17H32O5 and a molecular weight of 316.44 g/mol. Its IUPAC name is [(5R)-4-butoxy-5-(butoxymethyl)-5-ethyloxolan-3-yl] acetate.

Molecular Properties

Compound Name[(5R)-4-butoxy-5-(butoxymethyl)-5-ethyloxolan-3-yl] acetate
PubChem CID70985270
Molecular FormulaC17H32O5
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name[(5R)-4-butoxy-5-(butoxymethyl)-5-ethyloxolan-3-yl] acetate
SMILESCCCCOC[C@@]1(CC)OCC(OC(C)=O)C1OCCCC
InChIInChI=1S/C17H32O5/c1-5-8-10-19-13-17(7-3)16(20-11-9-6-2)15(12-21-17)22-14(4)18/h15-16H,5-13H2,1-4H3/t15?,16?,17-/m1/s1
InChIKeyFZKPVWQUKUKTPC-OFLPRAFFSA-N
XLogP3.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.10
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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Related Compounds

1-[(2R,4R)-3-butoxy-2-(butoxymethyl)-4-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethanone
CID 118595842
[(3aR,5R,6R,6aR)-6-butoxy-5-(butoxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 102325486
[(3R,4S,5R,6R)-4,5-diacetyloxy-6-butoxyoxan-3-yl] acetate
CID 12997603
[(2R,3R,4R,5S)-4-butoxy-2-(butoxymethyl)-5-methoxyoxan-3-yl] acetate
CID 100927783
[(2R,3S,4S)-3,4-diacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate
CID 134366275
[(2S,4S)-2-acetyloxy-4-butoxy-5,5-bis(methylsulfonyloxymethyl)oxolan-3-yl] acetate
CID 89395404
(3aS,5R,6aS)-6-butoxy-5-(butoxymethyl)-5-(fluoromethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 122453429
sodium;hydride;(2-pentylcyclobutyl) acetate
CID 175295819
[(2S,5R)-2-acetyloxy-4-butoxy-5-(butoxymethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate
CID 70658574
[(2S,3R,4R)-4-acetyloxy-2-ethyl-3-methyloxolan-2-yl]methyl benzoate
CID 59509731
[(2S,3S,5R)-4-butoxy-5-(butoxymethyl)-3-fluorooxolan-2-yl] acetate
CID 90339252
[(2R,3R,4S,5R)-3,4-dibutoxy-5-(butoxymethyl)thiolan-2-yl] acetate
CID 118336664

Frequently Asked Questions

What is the IUPAC name of [(5R)-4-butoxy-5-(butoxymethyl)-5-ethyloxolan-3-yl] acetate?
The IUPAC name of [(5R)-4-butoxy-5-(butoxymethyl)-5-ethyloxolan-3-yl] acetate (CID 70985270) is [(5R)-4-butoxy-5-(butoxymethyl)-5-ethyloxolan-3-yl] acetate.
What is the SMILES notation for [(5R)-4-butoxy-5-(butoxymethyl)-5-ethyloxolan-3-yl] acetate?
The canonical SMILES for [(5R)-4-butoxy-5-(butoxymethyl)-5-ethyloxolan-3-yl] acetate is CCCCOC[C@@]1(CC)OCC(OC(C)=O)C1OCCCC.
What is the InChIKey of [(5R)-4-butoxy-5-(butoxymethyl)-5-ethyloxolan-3-yl] acetate?
The InChIKey is FZKPVWQUKUKTPC-OFLPRAFFSA-N. The full InChI is InChI=1S/C17H32O5/c1-5-8-10-19-13-17(7-3)16(20-11-9-6-2)15(12-21-17)22-14(4)18/h15-16H,5-13H2,1-4H3/t15?,16?,17-/m1/s1.
What are the key properties of [(5R)-4-butoxy-5-(butoxymethyl)-5-ethyloxolan-3-yl] acetate?
[(5R)-4-butoxy-5-(butoxymethyl)-5-ethyloxolan-3-yl] acetate has a molecular weight of 316.44 g/mol, XLogP of 3.10, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-4-butoxy-5-(butoxymethyl)-5-ethyloxolan-3-yl] acetate is sourced from PubChem (CID 70985270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).