5-methyl-2-[(E,2S)-pent-3-en-2-yl]-5-propyl-1,3-dioxane

C13H24O2 — CID 15405725

IUPAC5-methyl-2-[(E,2S)-pent-3-en-2-yl]-5-propyl-1,3-dioxane
SMILESC/C=C/[C@H](C)C1OCC(C)(CCC)CO1
InChIInChI=1S/C13H24O2/c1-5-7-11(3)12-14-9-13(4,8-6-2)10-15-12/h5,7,11-12H,6,8-10H2,1-4H3/b7-5+/t11-,12?,13?/m0/s1
InChIKeyAVNVNAJOIYXLJU-JVJQLODNSA-N
MW212.33 g/mol
LogP3.38
Rot. Bonds4

About 5-methyl-2-[(E,2S)-pent-3-en-2-yl]-5-propyl-1,3-dioxane

5-methyl-2-[(E,2S)-pent-3-en-2-yl]-5-propyl-1,3-dioxane (PubChem CID 15405725) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 5-methyl-2-[(E,2S)-pent-3-en-2-yl]-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name5-methyl-2-[(E,2S)-pent-3-en-2-yl]-5-propyl-1,3-dioxane
PubChem CID15405725
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name5-methyl-2-[(E,2S)-pent-3-en-2-yl]-5-propyl-1,3-dioxane
SMILESC/C=C/[C@H](C)C1OCC(C)(CCC)CO1
InChIInChI=1S/C13H24O2/c1-5-7-11(3)12-14-9-13(4,8-6-2)10-15-12/h5,7,11-12H,6,8-10H2,1-4H3/b7-5+/t11-,12?,13?/m0/s1
InChIKeyAVNVNAJOIYXLJU-JVJQLODNSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,4-dimethyl-4-propyloxolane
CID 135257246
2-(1-chlorobut-2-enyl)-5,5-dimethyl-1,3-dioxane
CID 172694094
2-(3,5-dimethylcyclohexyl)-5-methyl-5-propyl-1,3-dioxane
CID 19803379
ethane;2-methylpropane;1-methyl-1-propylcyclopropane
CID 156713855
3,3-dimethyl-2-(2-methylpropyl)oxetane
CID 171398553
4-(5-methyl-5-propyl-1,3-dioxan-2-yl)benzonitrile
CID 18611717
5-butan-2-yl-5-methyl-2-pentan-2-yl-1,3-dioxane
CID 20509704
1,1,3-trimethyl-3-propylcyclopentane
CID 123680922
2-ethyl-1-methyl-1-pent-3-en-2-ylcyclopropane
CID 123462514
3-(1-bromoethyl)-3-propyloxetane
CID 66885643
2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol
CID 69400838
5-methyl-5-propyl-1,3-dithiane
CID 15272114

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(E,2S)-pent-3-en-2-yl]-5-propyl-1,3-dioxane?
The IUPAC name of 5-methyl-2-[(E,2S)-pent-3-en-2-yl]-5-propyl-1,3-dioxane (CID 15405725) is 5-methyl-2-[(E,2S)-pent-3-en-2-yl]-5-propyl-1,3-dioxane.
What is the SMILES notation for 5-methyl-2-[(E,2S)-pent-3-en-2-yl]-5-propyl-1,3-dioxane?
The canonical SMILES for 5-methyl-2-[(E,2S)-pent-3-en-2-yl]-5-propyl-1,3-dioxane is C/C=C/[C@H](C)C1OCC(C)(CCC)CO1.
What is the InChIKey of 5-methyl-2-[(E,2S)-pent-3-en-2-yl]-5-propyl-1,3-dioxane?
The InChIKey is AVNVNAJOIYXLJU-JVJQLODNSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-7-11(3)12-14-9-13(4,8-6-2)10-15-12/h5,7,11-12H,6,8-10H2,1-4H3/b7-5+/t11-,12?,13?/m0/s1.
What are the key properties of 5-methyl-2-[(E,2S)-pent-3-en-2-yl]-5-propyl-1,3-dioxane?
5-methyl-2-[(E,2S)-pent-3-en-2-yl]-5-propyl-1,3-dioxane has a molecular weight of 212.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(E,2S)-pent-3-en-2-yl]-5-propyl-1,3-dioxane is sourced from PubChem (CID 15405725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).