[2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol

C8H14O3 — CID 121451571

IUPAC[2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol
SMILESC/C=C(\C)C1OCC(CO)O1
InChIInChI=1S/C8H14O3/c1-3-6(2)8-10-5-7(4-9)11-8/h3,7-9H,4-5H2,1-2H3/b6-3+
InChIKeySASBYQMGOROYKU-ZZXKWVIFSA-N
MW158.20 g/mol
LogP0.69
Rot. Bonds2

About [2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol

[2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol (PubChem CID 121451571) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol
PubChem CID121451571
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol
SMILESC/C=C(\C)C1OCC(CO)O1
InChIInChI=1S/C8H14O3/c1-3-6(2)8-10-5-7(4-9)11-8/h3,7-9H,4-5H2,1-2H3/b6-3+
InChIKeySASBYQMGOROYKU-ZZXKWVIFSA-N
XLogP0.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
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 [2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol (CID 121451571) is [2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol is C/C=C(\C)C1OCC(CO)O1.
What is the InChIKey of [2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol?
The InChIKey is SASBYQMGOROYKU-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-6(2)8-10-5-7(4-9)11-8/h3,7-9H,4-5H2,1-2H3/b6-3+.
What are the key properties of [2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol?
[2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol has a molecular weight of 158.20 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 121451571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).