(2R,5S)-2-but-3-enoxy-5-[[(2R,5S)-5-(prop-2-enoxymethyl)-2,5-dihydrofuran-2-yl]oxymethyl]-2,5-dihydrofuran

C17H24O5 — CID 102415532

IUPAC(2R,5S)-2-but-3-enoxy-5-[[(2R,5S)-5-(prop-2-enoxymethyl)-2,5-dihydrofuran-2-yl]oxymethyl]-2,5-dihydrofuran
SMILESC=CCCO[C@H]1C=C[C@@H](CO[C@H]2C=C[C@@H](COCC=C)O2)O1
InChIInChI=1S/C17H24O5/c1-3-5-11-19-16-8-7-15(22-16)13-20-17-9-6-14(21-17)12-18-10-4-2/h3-4,6-9,14-17H,1-2,5,10-13H2/t14-,15-,16+,17+/m0/s1
InChIKeyHOFWQTUZYNYJOC-MWDXBVQZSA-N
MW308.37 g/mol
LogP2.36
Rot. Bonds11

About (2R,5S)-2-but-3-enoxy-5-[[(2R,5S)-5-(prop-2-enoxymethyl)-2,5-dihydrofuran-2-yl]oxymethyl]-2,5-dihydrofuran

(2R,5S)-2-but-3-enoxy-5-[[(2R,5S)-5-(prop-2-enoxymethyl)-2,5-dihydrofuran-2-yl]oxymethyl]-2,5-dihydrofuran (PubChem CID 102415532) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is (2R,5S)-2-but-3-enoxy-5-[[(2R,5S)-5-(prop-2-enoxymethyl)-2,5-dihydrofuran-2-yl]oxymethyl]-2,5-dihydrofuran.

Molecular Properties

Compound Name(2R,5S)-2-but-3-enoxy-5-[[(2R,5S)-5-(prop-2-enoxymethyl)-2,5-dihydrofuran-2-yl]oxymethyl]-2,5-dihydrofuran
PubChem CID102415532
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name(2R,5S)-2-but-3-enoxy-5-[[(2R,5S)-5-(prop-2-enoxymethyl)-2,5-dihydrofuran-2-yl]oxymethyl]-2,5-dihydrofuran
SMILESC=CCCO[C@H]1C=C[C@@H](CO[C@H]2C=C[C@@H](COCC=C)O2)O1
InChIInChI=1S/C17H24O5/c1-3-5-11-19-16-8-7-15(22-16)13-20-17-9-6-14(21-17)12-18-10-4-2/h3-4,6-9,14-17H,1-2,5,10-13H2/t14-,15-,16+,17+/m0/s1
InChIKeyHOFWQTUZYNYJOC-MWDXBVQZSA-N
XLogP2.36
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,5S)-2-but-3-enoxy-5-[[(2R,5S)-5-(prop-2-enoxymethyl)-2,5-dihydrofuran-2-yl]oxymethyl]-2,5-dihydrofuran with MolForge

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Related Compounds

(2R,5S)-2,5-bis(prop-2-enoxy)-2,5-dihydrofuran
CID 22215343
[(2R,3S,6S)-3-acetyloxy-6-pent-4-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 10424757
[(2S,3S,6S)-2-methyl-6-[[(6S)-2-prop-2-enoxy-3,6-dihydro-2H-pyran-6-yl]methoxy]-3,6-dihydro-2H-pyran-3-yl] but-3-enoate
CID 102024834
(2R,3R,4R)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran
CID 56590493
2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol
CID 89228344
but-3-enoxycyclobutane
CID 130057115
bis(2-(prop-2-enoxymethyl)oxirane);hydrate
CID 87216937
6-(prop-2-enoxymethyl)-3-oxatricyclo[3.2.1.02,4]octane
CID 12574062
(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane
CID 10723050
(2R,3R,4S,5R,6R)-2-bromo-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 167455087
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
3,5-bis(prop-2-enoxy)cyclopentene
CID 85352831

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-but-3-enoxy-5-[[(2R,5S)-5-(prop-2-enoxymethyl)-2,5-dihydrofuran-2-yl]oxymethyl]-2,5-dihydrofuran?
The IUPAC name of (2R,5S)-2-but-3-enoxy-5-[[(2R,5S)-5-(prop-2-enoxymethyl)-2,5-dihydrofuran-2-yl]oxymethyl]-2,5-dihydrofuran (CID 102415532) is (2R,5S)-2-but-3-enoxy-5-[[(2R,5S)-5-(prop-2-enoxymethyl)-2,5-dihydrofuran-2-yl]oxymethyl]-2,5-dihydrofuran.
What is the SMILES notation for (2R,5S)-2-but-3-enoxy-5-[[(2R,5S)-5-(prop-2-enoxymethyl)-2,5-dihydrofuran-2-yl]oxymethyl]-2,5-dihydrofuran?
The canonical SMILES for (2R,5S)-2-but-3-enoxy-5-[[(2R,5S)-5-(prop-2-enoxymethyl)-2,5-dihydrofuran-2-yl]oxymethyl]-2,5-dihydrofuran is C=CCCO[C@H]1C=C[C@@H](CO[C@H]2C=C[C@@H](COCC=C)O2)O1.
What is the InChIKey of (2R,5S)-2-but-3-enoxy-5-[[(2R,5S)-5-(prop-2-enoxymethyl)-2,5-dihydrofuran-2-yl]oxymethyl]-2,5-dihydrofuran?
The InChIKey is HOFWQTUZYNYJOC-MWDXBVQZSA-N. The full InChI is InChI=1S/C17H24O5/c1-3-5-11-19-16-8-7-15(22-16)13-20-17-9-6-14(21-17)12-18-10-4-2/h3-4,6-9,14-17H,1-2,5,10-13H2/t14-,15-,16+,17+/m0/s1.
What are the key properties of (2R,5S)-2-but-3-enoxy-5-[[(2R,5S)-5-(prop-2-enoxymethyl)-2,5-dihydrofuran-2-yl]oxymethyl]-2,5-dihydrofuran?
(2R,5S)-2-but-3-enoxy-5-[[(2R,5S)-5-(prop-2-enoxymethyl)-2,5-dihydrofuran-2-yl]oxymethyl]-2,5-dihydrofuran has a molecular weight of 308.37 g/mol, XLogP of 2.36, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-but-3-enoxy-5-[[(2R,5S)-5-(prop-2-enoxymethyl)-2,5-dihydrofuran-2-yl]oxymethyl]-2,5-dihydrofuran is sourced from PubChem (CID 102415532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).