2-[2-(4-methylphenyl)pent-4-en-2-yl]-1,3-dioxolane

C15H20O2 — CID 14357750

IUPAC2-[2-(4-methylphenyl)pent-4-en-2-yl]-1,3-dioxolane
SMILESC=CCC(C)(c1ccc(C)cc1)C1OCCO1
InChIInChI=1S/C15H20O2/c1-4-9-15(3,14-16-10-11-17-14)13-7-5-12(2)6-8-13/h4-8,14H,1,9-11H2,2-3H3
InChIKeyMQMWSOMWKCPALR-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.20
Rot. Bonds4

About 2-[2-(4-methylphenyl)pent-4-en-2-yl]-1,3-dioxolane

2-[2-(4-methylphenyl)pent-4-en-2-yl]-1,3-dioxolane (PubChem CID 14357750) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)pent-4-en-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)pent-4-en-2-yl]-1,3-dioxolane
PubChem CID14357750
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-[2-(4-methylphenyl)pent-4-en-2-yl]-1,3-dioxolane
SMILESC=CCC(C)(c1ccc(C)cc1)C1OCCO1
InChIInChI=1S/C15H20O2/c1-4-9-15(3,14-16-10-11-17-14)13-7-5-12(2)6-8-13/h4-8,14H,1,9-11H2,2-3H3
InChIKeyMQMWSOMWKCPALR-UHFFFAOYSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.20
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-[2-(4-methylphenyl)pent-4-en-2-yl]-1,3-dioxolane?
The IUPAC name of 2-[2-(4-methylphenyl)pent-4-en-2-yl]-1,3-dioxolane (CID 14357750) is 2-[2-(4-methylphenyl)pent-4-en-2-yl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(4-methylphenyl)pent-4-en-2-yl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(4-methylphenyl)pent-4-en-2-yl]-1,3-dioxolane is C=CCC(C)(c1ccc(C)cc1)C1OCCO1.
What is the InChIKey of 2-[2-(4-methylphenyl)pent-4-en-2-yl]-1,3-dioxolane?
The InChIKey is MQMWSOMWKCPALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-9-15(3,14-16-10-11-17-14)13-7-5-12(2)6-8-13/h4-8,14H,1,9-11H2,2-3H3.
What are the key properties of 2-[2-(4-methylphenyl)pent-4-en-2-yl]-1,3-dioxolane?
2-[2-(4-methylphenyl)pent-4-en-2-yl]-1,3-dioxolane has a molecular weight of 232.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)pent-4-en-2-yl]-1,3-dioxolane is sourced from PubChem (CID 14357750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).