(2R,4S)-1,2,3,4,5-pentakis(prop-2-enoxy)pentane

C20H32O5 — CID 87677169

IUPAC(2R,4S)-1,2,3,4,5-pentakis(prop-2-enoxy)pentane
SMILESC=CCOC[C@H](OCC=C)C(OCC=C)[C@@H](COCC=C)OCC=C
InChIInChI=1S/C20H32O5/c1-6-11-21-16-18(23-13-8-3)20(25-15-10-5)19(24-14-9-4)17-22-12-7-2/h6-10,18-20H,1-5,11-17H2/t18-,19+,20?
InChIKeyIIFDFTKLLGOQRA-YOFSQIOKSA-N
MW352.47 g/mol
LogP3.11
Rot. Bonds19

About (2R,4S)-1,2,3,4,5-pentakis(prop-2-enoxy)pentane

(2R,4S)-1,2,3,4,5-pentakis(prop-2-enoxy)pentane (PubChem CID 87677169) has the molecular formula C20H32O5 and a molecular weight of 352.47 g/mol. Its IUPAC name is (2R,4S)-1,2,3,4,5-pentakis(prop-2-enoxy)pentane.

Molecular Properties

Compound Name(2R,4S)-1,2,3,4,5-pentakis(prop-2-enoxy)pentane
PubChem CID87677169
Molecular FormulaC20H32O5
Molecular Weight352.47 g/mol
Exact Mass352.22
IUPAC Name(2R,4S)-1,2,3,4,5-pentakis(prop-2-enoxy)pentane
SMILESC=CCOC[C@H](OCC=C)C(OCC=C)[C@@H](COCC=C)OCC=C
InChIInChI=1S/C20H32O5/c1-6-11-21-16-18(23-13-8-3)20(25-15-10-5)19(24-14-9-4)17-22-12-7-2/h6-10,18-20H,1-5,11-17H2/t18-,19+,20?
InChIKeyIIFDFTKLLGOQRA-YOFSQIOKSA-N
XLogP3.11
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 53.11
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1,2,3,4,5-pentakis(prop-2-enoxy)pentane?
The IUPAC name of (2R,4S)-1,2,3,4,5-pentakis(prop-2-enoxy)pentane (CID 87677169) is (2R,4S)-1,2,3,4,5-pentakis(prop-2-enoxy)pentane.
What is the SMILES notation for (2R,4S)-1,2,3,4,5-pentakis(prop-2-enoxy)pentane?
The canonical SMILES for (2R,4S)-1,2,3,4,5-pentakis(prop-2-enoxy)pentane is C=CCOC[C@H](OCC=C)C(OCC=C)[C@@H](COCC=C)OCC=C.
What is the InChIKey of (2R,4S)-1,2,3,4,5-pentakis(prop-2-enoxy)pentane?
The InChIKey is IIFDFTKLLGOQRA-YOFSQIOKSA-N. The full InChI is InChI=1S/C20H32O5/c1-6-11-21-16-18(23-13-8-3)20(25-15-10-5)19(24-14-9-4)17-22-12-7-2/h6-10,18-20H,1-5,11-17H2/t18-,19+,20?.
What are the key properties of (2R,4S)-1,2,3,4,5-pentakis(prop-2-enoxy)pentane?
(2R,4S)-1,2,3,4,5-pentakis(prop-2-enoxy)pentane has a molecular weight of 352.47 g/mol, XLogP of 3.11, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1,2,3,4,5-pentakis(prop-2-enoxy)pentane is sourced from PubChem (CID 87677169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).