(2R,3R,4R,5S)-6-but-3-en-2-yloxyhexane-1,2,3,4,5-pentol

C10H20O6 — CID 21071825

IUPAC(2R,3R,4R,5S)-6-but-3-en-2-yloxyhexane-1,2,3,4,5-pentol
SMILESC=CC(C)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H20O6/c1-3-6(2)16-5-8(13)10(15)9(14)7(12)4-11/h3,6-15H,1,4-5H2,2H3/t6?,7-,8+,9-,10-/m1/s1
InChIKeyULPIXUUCIHBTRP-JNSGDMPLSA-N
MW236.26 g/mol
LogP-1.99
Rot. Bonds8

About (2R,3R,4R,5S)-6-but-3-en-2-yloxyhexane-1,2,3,4,5-pentol

(2R,3R,4R,5S)-6-but-3-en-2-yloxyhexane-1,2,3,4,5-pentol (PubChem CID 21071825) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (2R,3R,4R,5S)-6-but-3-en-2-yloxyhexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-6-but-3-en-2-yloxyhexane-1,2,3,4,5-pentol
PubChem CID21071825
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(2R,3R,4R,5S)-6-but-3-en-2-yloxyhexane-1,2,3,4,5-pentol
SMILESC=CC(C)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H20O6/c1-3-6(2)16-5-8(13)10(15)9(14)7(12)4-11/h3,6-15H,1,4-5H2,2H3/t6?,7-,8+,9-,10-/m1/s1
InChIKeyULPIXUUCIHBTRP-JNSGDMPLSA-N
XLogP-1.99
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-1.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-6-but-3-en-2-yloxyhexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5S)-6-but-3-en-2-yloxyhexane-1,2,3,4,5-pentol (CID 21071825) is (2R,3R,4R,5S)-6-but-3-en-2-yloxyhexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5S)-6-but-3-en-2-yloxyhexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5S)-6-but-3-en-2-yloxyhexane-1,2,3,4,5-pentol is C=CC(C)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5S)-6-but-3-en-2-yloxyhexane-1,2,3,4,5-pentol?
The InChIKey is ULPIXUUCIHBTRP-JNSGDMPLSA-N. The full InChI is InChI=1S/C10H20O6/c1-3-6(2)16-5-8(13)10(15)9(14)7(12)4-11/h3,6-15H,1,4-5H2,2H3/t6?,7-,8+,9-,10-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-6-but-3-en-2-yloxyhexane-1,2,3,4,5-pentol?
(2R,3R,4R,5S)-6-but-3-en-2-yloxyhexane-1,2,3,4,5-pentol has a molecular weight of 236.26 g/mol, XLogP of -1.99, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-6-but-3-en-2-yloxyhexane-1,2,3,4,5-pentol is sourced from PubChem (CID 21071825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).