2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol

C8H14O3 — CID 130147586

IUPAC2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol
SMILESC=CCC1CC(O)C(CO)O1
InChIInChI=1S/C8H14O3/c1-2-3-6-4-7(10)8(5-9)11-6/h2,6-10H,1,3-5H2
InChIKeyKEZISZWYZDIVKJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.07
Rot. Bonds3

About 2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol

2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol (PubChem CID 130147586) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol
PubChem CID130147586
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol
SMILESC=CCC1CC(O)C(CO)O1
InChIInChI=1S/C8H14O3/c1-2-3-6-4-7(10)8(5-9)11-6/h2,6-10H,1,3-5H2
InChIKeyKEZISZWYZDIVKJ-UHFFFAOYSA-N
XLogP0.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.07
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

(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol
CID 129257886
(2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol
CID 130917823
[(2S,5R)-5-prop-2-enyloxolan-2-yl]methanol
CID 25138505
(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690
(3R,6S)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 155780384
(2R,3S,5S,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 27556866
2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol
CID 14259408
2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol
CID 162127183
(2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol
CID 178195325
actinium;[(2R,5R)-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]azanide
CID 59928041

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol?
The IUPAC name of 2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol (CID 130147586) is 2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol is C=CCC1CC(O)C(CO)O1.
What is the InChIKey of 2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol?
The InChIKey is KEZISZWYZDIVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-3-6-4-7(10)8(5-9)11-6/h2,6-10H,1,3-5H2.
What are the key properties of 2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol?
2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol has a molecular weight of 158.20 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol is sourced from PubChem (CID 130147586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).