(3R)-3-ethoxypent-4-ene-1,2-diol

C7H14O3 — CID 88979935

IUPAC(3R)-3-ethoxypent-4-ene-1,2-diol
SMILESC=C[C@@H](OCC)C(O)CO
InChIInChI=1S/C7H14O3/c1-3-7(10-4-2)6(9)5-8/h3,6-9H,1,4-5H2,2H3/t6?,7-/m1/s1
InChIKeyVZSUGCVWBSKCRI-COBSHVIPSA-N
MW146.19 g/mol
LogP-0.07
Rot. Bonds5

About (3R)-3-ethoxypent-4-ene-1,2-diol

(3R)-3-ethoxypent-4-ene-1,2-diol (PubChem CID 88979935) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (3R)-3-ethoxypent-4-ene-1,2-diol.

Molecular Properties

Compound Name(3R)-3-ethoxypent-4-ene-1,2-diol
PubChem CID88979935
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(3R)-3-ethoxypent-4-ene-1,2-diol
SMILESC=C[C@@H](OCC)C(O)CO
InChIInChI=1S/C7H14O3/c1-3-7(10-4-2)6(9)5-8/h3,6-9H,1,4-5H2,2H3/t6?,7-/m1/s1
InChIKeyVZSUGCVWBSKCRI-COBSHVIPSA-N
XLogP-0.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.07
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 (3R)-3-ethoxypent-4-ene-1,2-diol?
The IUPAC name of (3R)-3-ethoxypent-4-ene-1,2-diol (CID 88979935) is (3R)-3-ethoxypent-4-ene-1,2-diol.
What is the SMILES notation for (3R)-3-ethoxypent-4-ene-1,2-diol?
The canonical SMILES for (3R)-3-ethoxypent-4-ene-1,2-diol is C=C[C@@H](OCC)C(O)CO.
What is the InChIKey of (3R)-3-ethoxypent-4-ene-1,2-diol?
The InChIKey is VZSUGCVWBSKCRI-COBSHVIPSA-N. The full InChI is InChI=1S/C7H14O3/c1-3-7(10-4-2)6(9)5-8/h3,6-9H,1,4-5H2,2H3/t6?,7-/m1/s1.
What are the key properties of (3R)-3-ethoxypent-4-ene-1,2-diol?
(3R)-3-ethoxypent-4-ene-1,2-diol has a molecular weight of 146.19 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethoxypent-4-ene-1,2-diol is sourced from PubChem (CID 88979935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).