(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate

C16H30O5 — CID 71587572

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate
SMILESCCCCCC(O)CCCC(=O)OCC1COC(C)(C)O1
InChIInChI=1S/C16H30O5/c1-4-5-6-8-13(17)9-7-10-15(18)19-11-14-12-20-16(2,3)21-14/h13-14,17H,4-12H2,1-3H3
InChIKeyREYDYLGZGYQXQP-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.79
Rot. Bonds10

About (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate (PubChem CID 71587572) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate
PubChem CID71587572
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate
SMILESCCCCCC(O)CCCC(=O)OCC1COC(C)(C)O1
InChIInChI=1S/C16H30O5/c1-4-5-6-8-13(17)9-7-10-15(18)19-11-14-12-20-16(2,3)21-14/h13-14,17H,4-12H2,1-3H3
InChIKeyREYDYLGZGYQXQP-UHFFFAOYSA-N
XLogP2.79
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-hydroxydecanoate?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate (CID 71587572) is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate is CCCCCC(O)CCCC(=O)OCC1COC(C)(C)O1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate?
The InChIKey is REYDYLGZGYQXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5/c1-4-5-6-8-13(17)9-7-10-15(18)19-11-14-12-20-16(2,3)21-14/h13-14,17H,4-12H2,1-3H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate?
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate has a molecular weight of 302.41 g/mol, XLogP of 2.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate is sourced from PubChem (CID 71587572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).