(2R,4S)-2-[(E)-pent-3-enyl]oxane-2,4-diol

C10H18O3 — CID 162918456

IUPAC(2R,4S)-2-[(E)-pent-3-enyl]oxane-2,4-diol
SMILESC/C=C/CC[C@]1(O)C[C@@H](O)CCO1
InChIInChI=1S/C10H18O3/c1-2-3-4-6-10(12)8-9(11)5-7-13-10/h2-3,9,11-12H,4-8H2,1H3/b3-2+/t9-,10+/m0/s1
InChIKeyPGFGQZTWEGYCRM-MDCNRGEUSA-N
MW186.25 g/mol
LogP1.20
Rot. Bonds3

About (2R,4S)-2-[(E)-pent-3-enyl]oxane-2,4-diol

(2R,4S)-2-[(E)-pent-3-enyl]oxane-2,4-diol (PubChem CID 162918456) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R,4S)-2-[(E)-pent-3-enyl]oxane-2,4-diol.

Molecular Properties

Compound Name(2R,4S)-2-[(E)-pent-3-enyl]oxane-2,4-diol
PubChem CID162918456
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2R,4S)-2-[(E)-pent-3-enyl]oxane-2,4-diol
SMILESC/C=C/CC[C@]1(O)C[C@@H](O)CCO1
InChIInChI=1S/C10H18O3/c1-2-3-4-6-10(12)8-9(11)5-7-13-10/h2-3,9,11-12H,4-8H2,1H3/b3-2+/t9-,10+/m0/s1
InChIKeyPGFGQZTWEGYCRM-MDCNRGEUSA-N
XLogP1.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,4S)-2-[(E)-pent-3-enyl]oxane-2,4-diol?
The IUPAC name of (2R,4S)-2-[(E)-pent-3-enyl]oxane-2,4-diol (CID 162918456) is (2R,4S)-2-[(E)-pent-3-enyl]oxane-2,4-diol.
What is the SMILES notation for (2R,4S)-2-[(E)-pent-3-enyl]oxane-2,4-diol?
The canonical SMILES for (2R,4S)-2-[(E)-pent-3-enyl]oxane-2,4-diol is C/C=C/CC[C@]1(O)C[C@@H](O)CCO1.
What is the InChIKey of (2R,4S)-2-[(E)-pent-3-enyl]oxane-2,4-diol?
The InChIKey is PGFGQZTWEGYCRM-MDCNRGEUSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-3-4-6-10(12)8-9(11)5-7-13-10/h2-3,9,11-12H,4-8H2,1H3/b3-2+/t9-,10+/m0/s1.
What are the key properties of (2R,4S)-2-[(E)-pent-3-enyl]oxane-2,4-diol?
(2R,4S)-2-[(E)-pent-3-enyl]oxane-2,4-diol has a molecular weight of 186.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-[(E)-pent-3-enyl]oxane-2,4-diol is sourced from PubChem (CID 162918456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).