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

C15H26O2 — CID 22042452

IUPAC2-(1-ethenylcyclopropyl)-2-heptyl-1,3-dioxolane
SMILESC=CC1(C2(CCCCCCC)OCCO2)CC1
InChIInChI=1S/C15H26O2/c1-3-5-6-7-8-9-15(16-12-13-17-15)14(4-2)10-11-14/h4H,2-3,5-13H2,1H3
InChIKeyBUPYDKZIZMPOFG-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.06
Rot. Bonds8

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

2-(1-ethenylcyclopropyl)-2-heptyl-1,3-dioxolane (PubChem CID 22042452) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(1-ethenylcyclopropyl)-2-heptyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(1-ethenylcyclopropyl)-2-heptyl-1,3-dioxolane
PubChem CID22042452
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(1-ethenylcyclopropyl)-2-heptyl-1,3-dioxolane
SMILESC=CC1(C2(CCCCCCC)OCCO2)CC1
InChIInChI=1S/C15H26O2/c1-3-5-6-7-8-9-15(16-12-13-17-15)14(4-2)10-11-14/h4H,2-3,5-13H2,1H3
InChIKeyBUPYDKZIZMPOFG-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.06
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-heptyl-1,3-dioxolane?
The IUPAC name of 2-(1-ethenylcyclopropyl)-2-heptyl-1,3-dioxolane (CID 22042452) is 2-(1-ethenylcyclopropyl)-2-heptyl-1,3-dioxolane.
What is the SMILES notation for 2-(1-ethenylcyclopropyl)-2-heptyl-1,3-dioxolane?
The canonical SMILES for 2-(1-ethenylcyclopropyl)-2-heptyl-1,3-dioxolane is C=CC1(C2(CCCCCCC)OCCO2)CC1.
What is the InChIKey of 2-(1-ethenylcyclopropyl)-2-heptyl-1,3-dioxolane?
The InChIKey is BUPYDKZIZMPOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-5-6-7-8-9-15(16-12-13-17-15)14(4-2)10-11-14/h4H,2-3,5-13H2,1H3.
What are the key properties of 2-(1-ethenylcyclopropyl)-2-heptyl-1,3-dioxolane?
2-(1-ethenylcyclopropyl)-2-heptyl-1,3-dioxolane has a molecular weight of 238.37 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenylcyclopropyl)-2-heptyl-1,3-dioxolane is sourced from PubChem (CID 22042452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).