(3R,5S)-5-prop-1-en-2-yloxolan-3-ol

C7H12O2 — CID 102378266

IUPAC(3R,5S)-5-prop-1-en-2-yloxolan-3-ol
SMILESC=C(C)[C@@H]1C[C@@H](O)CO1
InChIInChI=1S/C7H12O2/c1-5(2)7-3-6(8)4-9-7/h6-8H,1,3-4H2,2H3/t6-,7+/m1/s1
InChIKeyWJYGDXHXZGRMKN-RQJHMYQMSA-N
MW128.17 g/mol
LogP0.71
Rot. Bonds1

About (3R,5S)-5-prop-1-en-2-yloxolan-3-ol

(3R,5S)-5-prop-1-en-2-yloxolan-3-ol (PubChem CID 102378266) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (3R,5S)-5-prop-1-en-2-yloxolan-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-prop-1-en-2-yloxolan-3-ol
PubChem CID102378266
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(3R,5S)-5-prop-1-en-2-yloxolan-3-ol
SMILESC=C(C)[C@@H]1C[C@@H](O)CO1
InChIInChI=1S/C7H12O2/c1-5(2)7-3-6(8)4-9-7/h6-8H,1,3-4H2,2H3/t6-,7+/m1/s1
InChIKeyWJYGDXHXZGRMKN-RQJHMYQMSA-N
XLogP0.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methylenetetrahydrofurfuryl alcohol
CID 129667874
(2R,3S,4E,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59263723
(2R,3S,4Z,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59796321
[(2S,4Z,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol
CID 68034797
[(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol
CID 89043739
(2R,3S,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 91080855
[(4E)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol
CID 143325721
(2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol
CID 11240553
2-Ethenyl-5-methyloxolan-3-ol
CID 85299218
5-Vinyltetrahydro-3-furanol
CID 14142025
2-Ethyl-5-methylideneoxolan-3-ol
CID 54377835
CID 57693154
CID 57693154

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-prop-1-en-2-yloxolan-3-ol?
The IUPAC name of (3R,5S)-5-prop-1-en-2-yloxolan-3-ol (CID 102378266) is (3R,5S)-5-prop-1-en-2-yloxolan-3-ol.
What is the SMILES notation for (3R,5S)-5-prop-1-en-2-yloxolan-3-ol?
The canonical SMILES for (3R,5S)-5-prop-1-en-2-yloxolan-3-ol is C=C(C)[C@@H]1C[C@@H](O)CO1.
What is the InChIKey of (3R,5S)-5-prop-1-en-2-yloxolan-3-ol?
The InChIKey is WJYGDXHXZGRMKN-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H12O2/c1-5(2)7-3-6(8)4-9-7/h6-8H,1,3-4H2,2H3/t6-,7+/m1/s1.
What are the key properties of (3R,5S)-5-prop-1-en-2-yloxolan-3-ol?
(3R,5S)-5-prop-1-en-2-yloxolan-3-ol has a molecular weight of 128.17 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-prop-1-en-2-yloxolan-3-ol is sourced from PubChem (CID 102378266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).