2-but-3-enyl-2-hexyl-1,3-dioxolane

C13H24O2 — CID 59841795

IUPAC2-but-3-enyl-2-hexyl-1,3-dioxolane
SMILESC=CCCC1(CCCCCC)OCCO1
InChIInChI=1S/C13H24O2/c1-3-5-7-8-10-13(9-6-4-2)14-11-12-15-13/h4H,2-3,5-12H2,1H3
InChIKeyQWKWQCCQNQCNKU-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.67
Rot. Bonds8

About 2-but-3-enyl-2-hexyl-1,3-dioxolane

2-but-3-enyl-2-hexyl-1,3-dioxolane (PubChem CID 59841795) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-but-3-enyl-2-hexyl-1,3-dioxolane.

Molecular Properties

Compound Name2-but-3-enyl-2-hexyl-1,3-dioxolane
PubChem CID59841795
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-but-3-enyl-2-hexyl-1,3-dioxolane
SMILESC=CCCC1(CCCCCC)OCCO1
InChIInChI=1S/C13H24O2/c1-3-5-7-8-10-13(9-6-4-2)14-11-12-15-13/h4H,2-3,5-12H2,1H3
InChIKeyQWKWQCCQNQCNKU-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.67
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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Related Compounds

9-Decenal diethyl acetal
CID 86584457
(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane
CID 11579383
6,6-Ethylenedioxy-2-methyl-hept-1-ene
CID 10975921
2-Methyl-2-(6-methylhept-6-enyl)-1,3-dioxolane
CID 11970498
1,4-Dioxaspiro[4.16]henicosa-12,13-diene
CID 11277786
2-Ethoxy-2-pent-4-enyl-1,3-dioxolane
CID 154719587
4-(But-3-en-1-yl)-2,2-dimethyl-1,3-dioxolane
CID 10898938
4(5-Hexenyl)-2,2-dimethyl-1,3-dioxolane
CID 11458097
2-Non-8-enyl-1,3-dioxolane
CID 14521592
Non-8-en-2-one ethylene ketal
CID 25186484
2-Undec-10-enyl-1,3-dioxolane
CID 85604635
2,2-Bis(but-3-enyl)-1,3-dioxolane
CID 121218097

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-2-hexyl-1,3-dioxolane?
The IUPAC name of 2-but-3-enyl-2-hexyl-1,3-dioxolane (CID 59841795) is 2-but-3-enyl-2-hexyl-1,3-dioxolane.
What is the SMILES notation for 2-but-3-enyl-2-hexyl-1,3-dioxolane?
The canonical SMILES for 2-but-3-enyl-2-hexyl-1,3-dioxolane is C=CCCC1(CCCCCC)OCCO1.
What is the InChIKey of 2-but-3-enyl-2-hexyl-1,3-dioxolane?
The InChIKey is QWKWQCCQNQCNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-5-7-8-10-13(9-6-4-2)14-11-12-15-13/h4H,2-3,5-12H2,1H3.
What are the key properties of 2-but-3-enyl-2-hexyl-1,3-dioxolane?
2-but-3-enyl-2-hexyl-1,3-dioxolane has a molecular weight of 212.33 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-2-hexyl-1,3-dioxolane is sourced from PubChem (CID 59841795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).