2-O-allyl-3,4-O-isopropylidene arabinopyranosyl radical

C11H17O4 — CID 162786759

IUPAC—
SMILESC=CCO[C@@H]1[CH]OC[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C11H17O4/c1-4-5-13-8-6-12-7-9-10(8)15-11(2,3)14-9/h4,6,8-10H,1,5,7H2,2-3H3/t8-,9-,10+/m1/s1
InChIKeyVPJWAHWAKHEOOX-BBBLOLIVSA-N
MW213.25 g/mol
LogP1.27
Rot. Bonds3

About 2-O-allyl-3,4-O-isopropylidene arabinopyranosyl radical

2-O-allyl-3,4-O-isopropylidene arabinopyranosyl radical (PubChem CID 162786759) has the molecular formula C11H17O4 and a molecular weight of 213.25 g/mol.

Molecular Properties

Compound Name2-O-allyl-3,4-O-isopropylidene arabinopyranosyl radical
PubChem CID162786759
Molecular FormulaC11H17O4
Molecular Weight213.25 g/mol
Exact Mass213.11
IUPAC Name—
SMILESC=CCO[C@@H]1[CH]OC[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C11H17O4/c1-4-5-13-8-6-12-7-9-10(8)15-11(2,3)14-9/h4,6,8-10H,1,5,7H2,2-3H3/t8-,9-,10+/m1/s1
InChIKeyVPJWAHWAKHEOOX-BBBLOLIVSA-N
XLogP1.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-O-allyl-3,4-O-isopropylidene arabinopyranosyl radical?
The IUPAC name of 2-O-allyl-3,4-O-isopropylidene arabinopyranosyl radical (CID 162786759) is not available.
What is the SMILES notation for 2-O-allyl-3,4-O-isopropylidene arabinopyranosyl radical?
The canonical SMILES for 2-O-allyl-3,4-O-isopropylidene arabinopyranosyl radical is C=CCO[C@@H]1[CH]OC[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of 2-O-allyl-3,4-O-isopropylidene arabinopyranosyl radical?
The InChIKey is VPJWAHWAKHEOOX-BBBLOLIVSA-N. The full InChI is InChI=1S/C11H17O4/c1-4-5-13-8-6-12-7-9-10(8)15-11(2,3)14-9/h4,6,8-10H,1,5,7H2,2-3H3/t8-,9-,10+/m1/s1.
What are the key properties of 2-O-allyl-3,4-O-isopropylidene arabinopyranosyl radical?
2-O-allyl-3,4-O-isopropylidene arabinopyranosyl radical has a molecular weight of 213.25 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-allyl-3,4-O-isopropylidene arabinopyranosyl radical is sourced from PubChem (CID 162786759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).