(2,2-dimethyl-1,3-dioxolan-4-yl)methyl decanoate

C16H30O4 — CID 623166

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methyl decanoate
SMILESCCCCCCCCCC(=O)OCC1COC(C)(C)O1
InChIInChI=1S/C16H30O4/c1-4-5-6-7-8-9-10-11-15(17)18-12-14-13-19-16(2,3)20-14/h14H,4-13H2,1-3H3
InChIKeyKRBSCYNTGIRIAV-UHFFFAOYSA-N
MW286.41 g/mol
LogP3.82
Rot. Bonds10

About (2,2-dimethyl-1,3-dioxolan-4-yl)methyl decanoate

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl decanoate (PubChem CID 623166) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl decanoate.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl decanoate
PubChem CID623166
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl decanoate
SMILESCCCCCCCCCC(=O)OCC1COC(C)(C)O1
InChIInChI=1S/C16H30O4/c1-4-5-6-7-8-9-10-11-15(17)18-12-14-13-19-16(2,3)20-14/h14H,4-13H2,1-3H3
InChIKeyKRBSCYNTGIRIAV-UHFFFAOYSA-N
XLogP3.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl decanoate?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl decanoate (CID 623166) is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl decanoate.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl decanoate?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl decanoate is CCCCCCCCCC(=O)OCC1COC(C)(C)O1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl decanoate?
The InChIKey is KRBSCYNTGIRIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-4-5-6-7-8-9-10-11-15(17)18-12-14-13-19-16(2,3)20-14/h14H,4-13H2,1-3H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl decanoate?
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl decanoate has a molecular weight of 286.41 g/mol, XLogP of 3.82, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl decanoate is sourced from PubChem (CID 623166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).