3-prop-2-enoxypentane-1,2,4,5-tetrol

C8H16O5 — CID 142590945

IUPAC3-prop-2-enoxypentane-1,2,4,5-tetrol
SMILESC=CCOC(C(O)CO)C(O)CO
InChIInChI=1S/C8H16O5/c1-2-3-13-8(6(11)4-9)7(12)5-10/h2,6-12H,1,3-5H2
InChIKeyZXRYSEKIRIFSDJ-UHFFFAOYSA-N
MW192.21 g/mol
LogP-1.74
Rot. Bonds7

About 3-prop-2-enoxypentane-1,2,4,5-tetrol

3-prop-2-enoxypentane-1,2,4,5-tetrol (PubChem CID 142590945) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-prop-2-enoxypentane-1,2,4,5-tetrol.

Molecular Properties

Compound Name3-prop-2-enoxypentane-1,2,4,5-tetrol
PubChem CID142590945
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name3-prop-2-enoxypentane-1,2,4,5-tetrol
SMILESC=CCOC(C(O)CO)C(O)CO
InChIInChI=1S/C8H16O5/c1-2-3-13-8(6(11)4-9)7(12)5-10/h2,6-12H,1,3-5H2
InChIKeyZXRYSEKIRIFSDJ-UHFFFAOYSA-N
XLogP-1.74
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 3-prop-2-enoxypentane-1,2,4,5-tetrol?
The IUPAC name of 3-prop-2-enoxypentane-1,2,4,5-tetrol (CID 142590945) is 3-prop-2-enoxypentane-1,2,4,5-tetrol.
What is the SMILES notation for 3-prop-2-enoxypentane-1,2,4,5-tetrol?
The canonical SMILES for 3-prop-2-enoxypentane-1,2,4,5-tetrol is C=CCOC(C(O)CO)C(O)CO.
What is the InChIKey of 3-prop-2-enoxypentane-1,2,4,5-tetrol?
The InChIKey is ZXRYSEKIRIFSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5/c1-2-3-13-8(6(11)4-9)7(12)5-10/h2,6-12H,1,3-5H2.
What are the key properties of 3-prop-2-enoxypentane-1,2,4,5-tetrol?
3-prop-2-enoxypentane-1,2,4,5-tetrol has a molecular weight of 192.21 g/mol, XLogP of -1.74, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxypentane-1,2,4,5-tetrol is sourced from PubChem (CID 142590945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).