2-ethyl-2-pent-4-en-2-yl-1,3-dioxolane

C10H18O2 — CID 10607245

IUPAC2-ethyl-2-pent-4-en-2-yl-1,3-dioxolane
SMILESC=CCC(C)C1(CC)OCCO1
InChIInChI=1S/C10H18O2/c1-4-6-9(3)10(5-2)11-7-8-12-10/h4,9H,1,5-8H2,2-3H3
InChIKeyBOFMSXRALJPTRM-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds4

About 2-ethyl-2-pent-4-en-2-yl-1,3-dioxolane

2-ethyl-2-pent-4-en-2-yl-1,3-dioxolane (PubChem CID 10607245) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-ethyl-2-pent-4-en-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-2-pent-4-en-2-yl-1,3-dioxolane
PubChem CID10607245
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-ethyl-2-pent-4-en-2-yl-1,3-dioxolane
SMILESC=CCC(C)C1(CC)OCCO1
InChIInChI=1S/C10H18O2/c1-4-6-9(3)10(5-2)11-7-8-12-10/h4,9H,1,5-8H2,2-3H3
InChIKeyBOFMSXRALJPTRM-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
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 2-ethyl-2-pent-4-en-2-yl-1,3-dioxolane?
The IUPAC name of 2-ethyl-2-pent-4-en-2-yl-1,3-dioxolane (CID 10607245) is 2-ethyl-2-pent-4-en-2-yl-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-2-pent-4-en-2-yl-1,3-dioxolane?
The canonical SMILES for 2-ethyl-2-pent-4-en-2-yl-1,3-dioxolane is C=CCC(C)C1(CC)OCCO1.
What is the InChIKey of 2-ethyl-2-pent-4-en-2-yl-1,3-dioxolane?
The InChIKey is BOFMSXRALJPTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-6-9(3)10(5-2)11-7-8-12-10/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 2-ethyl-2-pent-4-en-2-yl-1,3-dioxolane?
2-ethyl-2-pent-4-en-2-yl-1,3-dioxolane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-pent-4-en-2-yl-1,3-dioxolane is sourced from PubChem (CID 10607245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).