(2R,3S,4S,5E)-2-(hydroxymethyl)-5-pentylideneoxolane-3,4-diol

C10H18O4 — CID 91235356

IUPAC(2R,3S,4S,5E)-2-(hydroxymethyl)-5-pentylideneoxolane-3,4-diol
SMILESCCCC/C=C1/O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H18O4/c1-2-3-4-5-7-9(12)10(13)8(6-11)14-7/h5,8-13H,2-4,6H2,1H3/b7-5+/t8-,9-,10-/m1/s1
InChIKeyVIKMHNCQIYDOEC-XCZHVQPTSA-N
MW202.25 g/mol
LogP0.17
Rot. Bonds4

About (2R,3S,4S,5E)-2-(hydroxymethyl)-5-pentylideneoxolane-3,4-diol

(2R,3S,4S,5E)-2-(hydroxymethyl)-5-pentylideneoxolane-3,4-diol (PubChem CID 91235356) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R,3S,4S,5E)-2-(hydroxymethyl)-5-pentylideneoxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5E)-2-(hydroxymethyl)-5-pentylideneoxolane-3,4-diol
PubChem CID91235356
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(2R,3S,4S,5E)-2-(hydroxymethyl)-5-pentylideneoxolane-3,4-diol
SMILESCCCC/C=C1/O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H18O4/c1-2-3-4-5-7-9(12)10(13)8(6-11)14-7/h5,8-13H,2-4,6H2,1H3/b7-5+/t8-,9-,10-/m1/s1
InChIKeyVIKMHNCQIYDOEC-XCZHVQPTSA-N
XLogP0.17
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5E)-2-(hydroxymethyl)-5-pentylideneoxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5E)-2-(hydroxymethyl)-5-pentylideneoxolane-3,4-diol (CID 91235356) is (2R,3S,4S,5E)-2-(hydroxymethyl)-5-pentylideneoxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5E)-2-(hydroxymethyl)-5-pentylideneoxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5E)-2-(hydroxymethyl)-5-pentylideneoxolane-3,4-diol is CCCC/C=C1/O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5E)-2-(hydroxymethyl)-5-pentylideneoxolane-3,4-diol?
The InChIKey is VIKMHNCQIYDOEC-XCZHVQPTSA-N. The full InChI is InChI=1S/C10H18O4/c1-2-3-4-5-7-9(12)10(13)8(6-11)14-7/h5,8-13H,2-4,6H2,1H3/b7-5+/t8-,9-,10-/m1/s1.
What are the key properties of (2R,3S,4S,5E)-2-(hydroxymethyl)-5-pentylideneoxolane-3,4-diol?
(2R,3S,4S,5E)-2-(hydroxymethyl)-5-pentylideneoxolane-3,4-diol has a molecular weight of 202.25 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5E)-2-(hydroxymethyl)-5-pentylideneoxolane-3,4-diol is sourced from PubChem (CID 91235356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).