2-(1-ethenylcyclopropyl)-2-pentyl-1,3-dioxolane

C13H22O2 — CID 22042495

IUPAC2-(1-ethenylcyclopropyl)-2-pentyl-1,3-dioxolane
SMILESC=CC1(C2(CCCCC)OCCO2)CC1
InChIInChI=1S/C13H22O2/c1-3-5-6-7-13(14-10-11-15-13)12(4-2)8-9-12/h4H,2-3,5-11H2,1H3
InChIKeyNZIKTVAXSOMKPM-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds6

About 2-(1-ethenylcyclopropyl)-2-pentyl-1,3-dioxolane

2-(1-ethenylcyclopropyl)-2-pentyl-1,3-dioxolane (PubChem CID 22042495) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(1-ethenylcyclopropyl)-2-pentyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(1-ethenylcyclopropyl)-2-pentyl-1,3-dioxolane
PubChem CID22042495
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-(1-ethenylcyclopropyl)-2-pentyl-1,3-dioxolane
SMILESC=CC1(C2(CCCCC)OCCO2)CC1
InChIInChI=1S/C13H22O2/c1-3-5-6-7-13(14-10-11-15-13)12(4-2)8-9-12/h4H,2-3,5-11H2,1H3
InChIKeyNZIKTVAXSOMKPM-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.28
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-(1-ethenylcyclopropyl)-2-pentyl-1,3-dioxolane?
The IUPAC name of 2-(1-ethenylcyclopropyl)-2-pentyl-1,3-dioxolane (CID 22042495) is 2-(1-ethenylcyclopropyl)-2-pentyl-1,3-dioxolane.
What is the SMILES notation for 2-(1-ethenylcyclopropyl)-2-pentyl-1,3-dioxolane?
The canonical SMILES for 2-(1-ethenylcyclopropyl)-2-pentyl-1,3-dioxolane is C=CC1(C2(CCCCC)OCCO2)CC1.
What is the InChIKey of 2-(1-ethenylcyclopropyl)-2-pentyl-1,3-dioxolane?
The InChIKey is NZIKTVAXSOMKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-5-6-7-13(14-10-11-15-13)12(4-2)8-9-12/h4H,2-3,5-11H2,1H3.
What are the key properties of 2-(1-ethenylcyclopropyl)-2-pentyl-1,3-dioxolane?
2-(1-ethenylcyclopropyl)-2-pentyl-1,3-dioxolane has a molecular weight of 210.32 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenylcyclopropyl)-2-pentyl-1,3-dioxolane is sourced from PubChem (CID 22042495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).