2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol

C8H14O3 — CID 68757550

IUPAC2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol
SMILESC=CC1(CO)OCC(C)C1O
InChIInChI=1S/C8H14O3/c1-3-8(5-9)7(10)6(2)4-11-8/h3,6-7,9-10H,1,4-5H2,2H3
InChIKeyYYUMGOJLDQZBQR-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.07
Rot. Bonds2

About 2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol

2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol (PubChem CID 68757550) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol.

Molecular Properties

Compound Name2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol
PubChem CID68757550
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol
SMILESC=CC1(CO)OCC(C)C1O
InChIInChI=1S/C8H14O3/c1-3-8(5-9)7(10)6(2)4-11-8/h3,6-7,9-10H,1,4-5H2,2H3
InChIKeyYYUMGOJLDQZBQR-UHFFFAOYSA-N
XLogP-0.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
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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Related Compounds

2-Ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol
CID 68733683
(2S,3S,4S,5R)-5-ethenyl-4-fluoro-5-(hydroxymethyl)-2-methyloxolan-3-ol
CID 122537173
(2R,3R,4R,5S)-2-ethenyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 145600772
2-Ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 175951374
(2S,3R,4R)-2-ethenyl-4-fluoro-2,5-dimethyloxolan-3-ol
CID 144842951
CID 89799607
CID 89799607
2-Ethenyl-2-methyloxolane-3,4-diol
CID 91066717
4-Methyl-2-prop-1-en-2-yloxolan-3-ol
CID 123852564
2-Ethenyl-2-ethyl-4-methyloxolan-3-ol
CID 123865924
(5-Ethenyl-5-methyloxolan-2-yl)methanol
CID 141342247
(2-Ethenyloxolan-2-yl)methanol;propane-2,2-diol
CID 143521419
(5-Ethenyl-2-methyloxolan-2-yl)methanol
CID 152586856

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol?
The IUPAC name of 2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol (CID 68757550) is 2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol.
What is the SMILES notation for 2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol?
The canonical SMILES for 2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol is C=CC1(CO)OCC(C)C1O.
What is the InChIKey of 2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol?
The InChIKey is YYUMGOJLDQZBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-8(5-9)7(10)6(2)4-11-8/h3,6-7,9-10H,1,4-5H2,2H3.
What are the key properties of 2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol?
2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol has a molecular weight of 158.20 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol is sourced from PubChem (CID 68757550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).