2-methyl-2-[2-(2-pent-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane

C14H24O4 — CID 67122228

IUPAC2-methyl-2-[2-(2-pent-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane
SMILESC=CCCCC1(CCC2(C)OCCO2)OCCO1
InChIInChI=1S/C14H24O4/c1-3-4-5-6-14(17-11-12-18-14)8-7-13(2)15-9-10-16-13/h3H,1,4-12H2,2H3
InChIKeyMNTATAZWZVTTJK-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.63
Rot. Bonds7

About 2-methyl-2-[2-(2-pent-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane

2-methyl-2-[2-(2-pent-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane (PubChem CID 67122228) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-pent-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[2-(2-pent-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane
PubChem CID67122228
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-methyl-2-[2-(2-pent-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane
SMILESC=CCCCC1(CCC2(C)OCCO2)OCCO1
InChIInChI=1S/C14H24O4/c1-3-4-5-6-14(17-11-12-18-14)8-7-13(2)15-9-10-16-13/h3H,1,4-12H2,2H3
InChIKeyMNTATAZWZVTTJK-UHFFFAOYSA-N
XLogP2.63
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-2-[2-(2-pent-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[2-(2-pent-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane (CID 67122228) is 2-methyl-2-[2-(2-pent-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[2-(2-pent-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[2-(2-pent-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane is C=CCCCC1(CCC2(C)OCCO2)OCCO1.
What is the InChIKey of 2-methyl-2-[2-(2-pent-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane?
The InChIKey is MNTATAZWZVTTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-3-4-5-6-14(17-11-12-18-14)8-7-13(2)15-9-10-16-13/h3H,1,4-12H2,2H3.
What are the key properties of 2-methyl-2-[2-(2-pent-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane?
2-methyl-2-[2-(2-pent-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane has a molecular weight of 256.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-pent-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 67122228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).