5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate

C14H24O5 — CID 59566554

IUPAC5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCCCCC1COC(=O)O1
InChIInChI=1S/C14H24O5/c1-4-14(2,3)12(15)17-9-7-5-6-8-11-10-18-13(16)19-11/h11H,4-10H2,1-3H3
InChIKeyVPEGCSUBMOUWFF-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.06
Rot. Bonds8

About 5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate

5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate (PubChem CID 59566554) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate
PubChem CID59566554
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCCCCC1COC(=O)O1
InChIInChI=1S/C14H24O5/c1-4-14(2,3)12(15)17-9-7-5-6-8-11-10-18-13(16)19-11/h11H,4-10H2,1-3H3
InChIKeyVPEGCSUBMOUWFF-UHFFFAOYSA-N
XLogP3.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(oxiran-2-yl)propyl 2,2-dimethylbutanoate
CID 134393945
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
(4S)-4-octyl-1,3-dioxolan-2-one
CID 129382353
4-octadecyl-1,3-dioxolan-2-one
CID 139653097
(4R)-4-hexyl-1,3-dioxolan-2-one
CID 15403459
4-butyl-1,3-dioxolan-2-one
CID 162009451
tridecyl 2,2-dimethylbutanoate
CID 59651442
bis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate
CID 165178075
pentyl 2,2-dimethylbutanoate
CID 59940538
[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylpentanoate
CID 159032301
4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one
CID 70218868
(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 9-(2,2-dimethylbutanoyloxy)nonanoate
CID 58887153

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate?
The IUPAC name of 5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate (CID 59566554) is 5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate.
What is the SMILES notation for 5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate?
The canonical SMILES for 5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCCCCC1COC(=O)O1.
What is the InChIKey of 5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate?
The InChIKey is VPEGCSUBMOUWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-4-14(2,3)12(15)17-9-7-5-6-8-11-10-18-13(16)19-11/h11H,4-10H2,1-3H3.
What are the key properties of 5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate?
5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate has a molecular weight of 272.34 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate is sourced from PubChem (CID 59566554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).