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

C13H24O2 — CID 16726133

IUPAC(2S,3R,5R)-5-methyl-2-(3-methylbut-3-enyl)-5-propyloxolan-3-ol
SMILESC=C(C)CC[C@@H]1O[C@](C)(CCC)C[C@H]1O
InChIInChI=1S/C13H24O2/c1-5-8-13(4)9-11(14)12(15-13)7-6-10(2)3/h11-12,14H,2,5-9H2,1,3-4H3/t11-,12+,13-/m1/s1
InChIKeyFUVNYZATLDGNRH-FRRDWIJNSA-N
MW212.33 g/mol
LogP3.05
Rot. Bonds5

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

(2S,3R,5R)-5-methyl-2-(3-methylbut-3-enyl)-5-propyloxolan-3-ol (PubChem CID 16726133) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (2S,3R,5R)-5-methyl-2-(3-methylbut-3-enyl)-5-propyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,5R)-5-methyl-2-(3-methylbut-3-enyl)-5-propyloxolan-3-ol
PubChem CID16726133
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(2S,3R,5R)-5-methyl-2-(3-methylbut-3-enyl)-5-propyloxolan-3-ol
SMILESC=C(C)CC[C@@H]1O[C@](C)(CCC)C[C@H]1O
InChIInChI=1S/C13H24O2/c1-5-8-13(4)9-11(14)12(15-13)7-6-10(2)3/h11-12,14H,2,5-9H2,1,3-4H3/t11-,12+,13-/m1/s1
InChIKeyFUVNYZATLDGNRH-FRRDWIJNSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.05
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)-5-methyl-2-(3-methylbut-3-enyl)-5-propyloxolan-3-ol?
The IUPAC name of (2S,3R,5R)-5-methyl-2-(3-methylbut-3-enyl)-5-propyloxolan-3-ol (CID 16726133) is (2S,3R,5R)-5-methyl-2-(3-methylbut-3-enyl)-5-propyloxolan-3-ol.
What is the SMILES notation for (2S,3R,5R)-5-methyl-2-(3-methylbut-3-enyl)-5-propyloxolan-3-ol?
The canonical SMILES for (2S,3R,5R)-5-methyl-2-(3-methylbut-3-enyl)-5-propyloxolan-3-ol is C=C(C)CC[C@@H]1O[C@](C)(CCC)C[C@H]1O.
What is the InChIKey of (2S,3R,5R)-5-methyl-2-(3-methylbut-3-enyl)-5-propyloxolan-3-ol?
The InChIKey is FUVNYZATLDGNRH-FRRDWIJNSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-8-13(4)9-11(14)12(15-13)7-6-10(2)3/h11-12,14H,2,5-9H2,1,3-4H3/t11-,12+,13-/m1/s1.
What are the key properties of (2S,3R,5R)-5-methyl-2-(3-methylbut-3-enyl)-5-propyloxolan-3-ol?
(2S,3R,5R)-5-methyl-2-(3-methylbut-3-enyl)-5-propyloxolan-3-ol has a molecular weight of 212.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-5-methyl-2-(3-methylbut-3-enyl)-5-propyloxolan-3-ol is sourced from PubChem (CID 16726133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).