2-[3-(oxiran-2-yl)propyl]-2-pent-4-enyl-1,3-dioxolane

C13H22O3 — CID 10585348

IUPAC2-[3-(oxiran-2-yl)propyl]-2-pent-4-enyl-1,3-dioxolane
SMILESC=CCCCC1(CCCC2CO2)OCCO1
InChIInChI=1S/C13H22O3/c1-2-3-4-7-13(15-9-10-16-13)8-5-6-12-11-14-12/h2,12H,1,3-11H2
InChIKeyHLVJYHXKFHKRRD-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.65
Rot. Bonds8

About 2-[3-(oxiran-2-yl)propyl]-2-pent-4-enyl-1,3-dioxolane

2-[3-(oxiran-2-yl)propyl]-2-pent-4-enyl-1,3-dioxolane (PubChem CID 10585348) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[3-(oxiran-2-yl)propyl]-2-pent-4-enyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-(oxiran-2-yl)propyl]-2-pent-4-enyl-1,3-dioxolane
PubChem CID10585348
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-[3-(oxiran-2-yl)propyl]-2-pent-4-enyl-1,3-dioxolane
SMILESC=CCCCC1(CCCC2CO2)OCCO1
InChIInChI=1S/C13H22O3/c1-2-3-4-7-13(15-9-10-16-13)8-5-6-12-11-14-12/h2,12H,1,3-11H2
InChIKeyHLVJYHXKFHKRRD-UHFFFAOYSA-N
XLogP2.65
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4(5-Hexenyl)-2,2-dimethyl-1,3-dioxolane
CID 11458097
Non-8-en-2-one ethylene ketal
CID 25186484
(s)-1-((s)-2,2-Dimethyl-1,3-dioxolan-4-yl)hept-6-en-3-ol
CID 129840395
(5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane
CID 134986577
2-But-3-enyl-5-(methoxymethyl)oxolane
CID 102309291
2,2-Dimethyl-4-non-8-enyl-1,3-dioxolane
CID 17971173
(4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane
CID 42631026
2-methyl-2-[(Z)-10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane
CID 59841790
2-But-3-enyl-2-hexyl-1,3-dioxolane
CID 59841795
(4R)-2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane
CID 66757262
2,2-Dimethyl-4-oct-7-enyl-1,3-dioxolane
CID 66757263
2-Methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane
CID 72576196

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxiran-2-yl)propyl]-2-pent-4-enyl-1,3-dioxolane?
The IUPAC name of 2-[3-(oxiran-2-yl)propyl]-2-pent-4-enyl-1,3-dioxolane (CID 10585348) is 2-[3-(oxiran-2-yl)propyl]-2-pent-4-enyl-1,3-dioxolane.
What is the SMILES notation for 2-[3-(oxiran-2-yl)propyl]-2-pent-4-enyl-1,3-dioxolane?
The canonical SMILES for 2-[3-(oxiran-2-yl)propyl]-2-pent-4-enyl-1,3-dioxolane is C=CCCCC1(CCCC2CO2)OCCO1.
What is the InChIKey of 2-[3-(oxiran-2-yl)propyl]-2-pent-4-enyl-1,3-dioxolane?
The InChIKey is HLVJYHXKFHKRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-2-3-4-7-13(15-9-10-16-13)8-5-6-12-11-14-12/h2,12H,1,3-11H2.
What are the key properties of 2-[3-(oxiran-2-yl)propyl]-2-pent-4-enyl-1,3-dioxolane?
2-[3-(oxiran-2-yl)propyl]-2-pent-4-enyl-1,3-dioxolane has a molecular weight of 226.32 g/mol, XLogP of 2.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxiran-2-yl)propyl]-2-pent-4-enyl-1,3-dioxolane is sourced from PubChem (CID 10585348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).