(2R,3R)-4-methoxy-2-prop-2-enylbutane-1,3-diol

C8H16O3 — CID 58260804

IUPAC(2R,3R)-4-methoxy-2-prop-2-enylbutane-1,3-diol
SMILESC=CC[C@H](CO)[C@@H](O)COC
InChIInChI=1S/C8H16O3/c1-3-4-7(5-9)8(10)6-11-2/h3,7-10H,1,4-6H2,2H3/t7-,8+/m1/s1
InChIKeyOWJLGADMNBEDTP-SFYZADRCSA-N
MW160.21 g/mol
LogP0.18
Rot. Bonds6

About (2R,3R)-4-methoxy-2-prop-2-enylbutane-1,3-diol

(2R,3R)-4-methoxy-2-prop-2-enylbutane-1,3-diol (PubChem CID 58260804) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2R,3R)-4-methoxy-2-prop-2-enylbutane-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-4-methoxy-2-prop-2-enylbutane-1,3-diol
PubChem CID58260804
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2R,3R)-4-methoxy-2-prop-2-enylbutane-1,3-diol
SMILESC=CC[C@H](CO)[C@@H](O)COC
InChIInChI=1S/C8H16O3/c1-3-4-7(5-9)8(10)6-11-2/h3,7-10H,1,4-6H2,2H3/t7-,8+/m1/s1
InChIKeyOWJLGADMNBEDTP-SFYZADRCSA-N
XLogP0.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.18
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,3R)-4-methoxy-2-prop-2-enylbutane-1,3-diol?
The IUPAC name of (2R,3R)-4-methoxy-2-prop-2-enylbutane-1,3-diol (CID 58260804) is (2R,3R)-4-methoxy-2-prop-2-enylbutane-1,3-diol.
What is the SMILES notation for (2R,3R)-4-methoxy-2-prop-2-enylbutane-1,3-diol?
The canonical SMILES for (2R,3R)-4-methoxy-2-prop-2-enylbutane-1,3-diol is C=CC[C@H](CO)[C@@H](O)COC.
What is the InChIKey of (2R,3R)-4-methoxy-2-prop-2-enylbutane-1,3-diol?
The InChIKey is OWJLGADMNBEDTP-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-4-7(5-9)8(10)6-11-2/h3,7-10H,1,4-6H2,2H3/t7-,8+/m1/s1.
What are the key properties of (2R,3R)-4-methoxy-2-prop-2-enylbutane-1,3-diol?
(2R,3R)-4-methoxy-2-prop-2-enylbutane-1,3-diol has a molecular weight of 160.21 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-methoxy-2-prop-2-enylbutane-1,3-diol is sourced from PubChem (CID 58260804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).