(2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane

C15H26O3 — CID 10634717

IUPAC(2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane
SMILESC=CCCCOC[C@H]1OCCC[C@@H]1OCCC=C
InChIInChI=1S/C15H26O3/c1-3-5-7-10-16-13-15-14(9-8-12-18-15)17-11-6-4-2/h3-4,14-15H,1-2,5-13H2/t14-,15+/m0/s1
InChIKeyZAWIUMXXDRLKIZ-LSDHHAIUSA-N
MW254.37 g/mol
LogP3.11
Rot. Bonds10

About (2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane

(2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane (PubChem CID 10634717) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane
PubChem CID10634717
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane
SMILESC=CCCCOC[C@H]1OCCC[C@@H]1OCCC=C
InChIInChI=1S/C15H26O3/c1-3-5-7-10-16-13-15-14(9-8-12-18-15)17-11-6-4-2/h3-4,14-15H,1-2,5-13H2/t14-,15+/m0/s1
InChIKeyZAWIUMXXDRLKIZ-LSDHHAIUSA-N
XLogP3.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane?
The IUPAC name of (2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane (CID 10634717) is (2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane.
What is the SMILES notation for (2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane?
The canonical SMILES for (2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane is C=CCCCOC[C@H]1OCCC[C@@H]1OCCC=C.
What is the InChIKey of (2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane?
The InChIKey is ZAWIUMXXDRLKIZ-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H26O3/c1-3-5-7-10-16-13-15-14(9-8-12-18-15)17-11-6-4-2/h3-4,14-15H,1-2,5-13H2/t14-,15+/m0/s1.
What are the key properties of (2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane?
(2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane has a molecular weight of 254.37 g/mol, XLogP of 3.11, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane is sourced from PubChem (CID 10634717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).