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

C10H20O3 — CID 145109293

IUPAC[2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol;ethane
SMILESC/C=C(\C)C1OCC(CO)O1.CC
InChIInChI=1S/C8H14O3.C2H6/c1-3-6(2)8-10-5-7(4-9)11-8;1-2/h3,7-9H,4-5H2,1-2H3;1-2H3/b6-3+;
InChIKeyQPWLMYBLVSCLMP-ZIKNSQGESA-N
MW188.27 g/mol
LogP1.71
Rot. Bonds2

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

[2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol;ethane (PubChem CID 145109293) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is [2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol;ethane.

Molecular Properties

Compound Name[2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol;ethane
PubChem CID145109293
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name[2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol;ethane
SMILESC/C=C(\C)C1OCC(CO)O1.CC
InChIInChI=1S/C8H14O3.C2H6/c1-3-6(2)8-10-5-7(4-9)11-8;1-2/h3,7-9H,4-5H2,1-2H3;1-2H3/b6-3+;
InChIKeyQPWLMYBLVSCLMP-ZIKNSQGESA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(4R,5R)-2-[(E)-but-2-en-2-yl]-5-(hydroxymethyl)-1,3-dioxolan-4-yl]methanol
CID 23240872
[(2R,4R)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 12832915
4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane
CID 67926548
2-but-2-en-2-yl-1,3-dioxetane
CID 123232646
oxiran-2-ylmethanol;propane
CID 91466926
[(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol
CID 76963279
ethanol;methane;oxiran-2-ylmethanol;prop-1-ene
CID 160753688
[4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate
CID 135314566
molecular iodine;oxiran-2-ylmethanol
CID 159687317
1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol
CID 130122273
[5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol
CID 153300794
(2-cyclopropyl-1,3-dioxolan-4-yl)methanol
CID 115094726

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol;ethane?
The IUPAC name of [2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol;ethane (CID 145109293) is [2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol;ethane.
What is the SMILES notation for [2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol;ethane?
The canonical SMILES for [2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol;ethane is C/C=C(\C)C1OCC(CO)O1.CC.
What is the InChIKey of [2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol;ethane?
The InChIKey is QPWLMYBLVSCLMP-ZIKNSQGESA-N. The full InChI is InChI=1S/C8H14O3.C2H6/c1-3-6(2)8-10-5-7(4-9)11-8;1-2/h3,7-9H,4-5H2,1-2H3;1-2H3/b6-3+;.
What are the key properties of [2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol;ethane?
[2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol;ethane has a molecular weight of 188.27 g/mol, XLogP of 1.71, 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;ethane is sourced from PubChem (CID 145109293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).