2-[(5R)-5-ethenylnonyl]-1,3-dioxane

C15H28O2 — CID 132602699

IUPAC2-[(5R)-5-ethenylnonyl]-1,3-dioxane
SMILESC=C[C@H](CCCC)CCCCC1OCCCO1
InChIInChI=1S/C15H28O2/c1-3-5-9-14(4-2)10-6-7-11-15-16-12-8-13-17-15/h4,14-15H,2-3,5-13H2,1H3/t14-/m1/s1
InChIKeyKIPFQVKOAKMFCT-CQSZACIVSA-N
MW240.39 g/mol
LogP4.30
Rot. Bonds9

About 2-[(5R)-5-ethenylnonyl]-1,3-dioxane

2-[(5R)-5-ethenylnonyl]-1,3-dioxane (PubChem CID 132602699) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[(5R)-5-ethenylnonyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[(5R)-5-ethenylnonyl]-1,3-dioxane
PubChem CID132602699
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-[(5R)-5-ethenylnonyl]-1,3-dioxane
SMILESC=C[C@H](CCCC)CCCCC1OCCCO1
InChIInChI=1S/C15H28O2/c1-3-5-9-14(4-2)10-6-7-11-15-16-12-8-13-17-15/h4,14-15H,2-3,5-13H2,1H3/t14-/m1/s1
InChIKeyKIPFQVKOAKMFCT-CQSZACIVSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-5-ethenylnonyl]-1,3-dioxane?
The IUPAC name of 2-[(5R)-5-ethenylnonyl]-1,3-dioxane (CID 132602699) is 2-[(5R)-5-ethenylnonyl]-1,3-dioxane.
What is the SMILES notation for 2-[(5R)-5-ethenylnonyl]-1,3-dioxane?
The canonical SMILES for 2-[(5R)-5-ethenylnonyl]-1,3-dioxane is C=C[C@H](CCCC)CCCCC1OCCCO1.
What is the InChIKey of 2-[(5R)-5-ethenylnonyl]-1,3-dioxane?
The InChIKey is KIPFQVKOAKMFCT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-5-9-14(4-2)10-6-7-11-15-16-12-8-13-17-15/h4,14-15H,2-3,5-13H2,1H3/t14-/m1/s1.
What are the key properties of 2-[(5R)-5-ethenylnonyl]-1,3-dioxane?
2-[(5R)-5-ethenylnonyl]-1,3-dioxane has a molecular weight of 240.39 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-5-ethenylnonyl]-1,3-dioxane is sourced from PubChem (CID 132602699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).