(2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol

C10H18O2 — CID 11571865

IUPAC(2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol
SMILESC=C[C@@H]1O[C@](C)(CCC)C[C@H]1O
InChIInChI=1S/C10H18O2/c1-4-6-10(3)7-8(11)9(5-2)12-10/h5,8-9,11H,2,4,6-7H2,1,3H3/t8-,9+,10-/m1/s1
InChIKeyHEXVFMWLXPJGCZ-KXUCPTDWSA-N
MW170.25 g/mol
LogP1.88
Rot. Bonds3

About (2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol

(2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol (PubChem CID 11571865) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol
PubChem CID11571865
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol
SMILESC=C[C@@H]1O[C@](C)(CCC)C[C@H]1O
InChIInChI=1S/C10H18O2/c1-4-6-10(3)7-8(11)9(5-2)12-10/h5,8-9,11H,2,4,6-7H2,1,3H3/t8-,9+,10-/m1/s1
InChIKeyHEXVFMWLXPJGCZ-KXUCPTDWSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol?
The IUPAC name of (2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol (CID 11571865) is (2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol.
What is the SMILES notation for (2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol?
The canonical SMILES for (2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol is C=C[C@@H]1O[C@](C)(CCC)C[C@H]1O.
What is the InChIKey of (2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol?
The InChIKey is HEXVFMWLXPJGCZ-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-6-10(3)7-8(11)9(5-2)12-10/h5,8-9,11H,2,4,6-7H2,1,3H3/t8-,9+,10-/m1/s1.
What are the key properties of (2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol?
(2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol has a molecular weight of 170.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol is sourced from PubChem (CID 11571865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).