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

C15H28O4 — CID 58004856

IUPAC(2-methyl-1,3-dioxolan-4-yl)methyl decanoate
SMILESCCCCCCCCCC(=O)OCC1COC(C)O1
InChIInChI=1S/C15H28O4/c1-3-4-5-6-7-8-9-10-15(16)18-12-14-11-17-13(2)19-14/h13-14H,3-12H2,1-2H3
InChIKeyXZSYBPCZUMDSSR-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.43
Rot. Bonds10

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

(2-methyl-1,3-dioxolan-4-yl)methyl decanoate (PubChem CID 58004856) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is (2-methyl-1,3-dioxolan-4-yl)methyl decanoate.

Molecular Properties

Compound Name(2-methyl-1,3-dioxolan-4-yl)methyl decanoate
PubChem CID58004856
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name(2-methyl-1,3-dioxolan-4-yl)methyl decanoate
SMILESCCCCCCCCCC(=O)OCC1COC(C)O1
InChIInChI=1S/C15H28O4/c1-3-4-5-6-7-8-9-10-15(16)18-12-14-11-17-13(2)19-14/h13-14H,3-12H2,1-2H3
InChIKeyXZSYBPCZUMDSSR-UHFFFAOYSA-N
XLogP3.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.43
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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Related Compounds

Octadecanoic acid, 1,4-dioxaspiro[4.5]dec-2-ylmethyl ester
CID 57375926
Hexadecanoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
CID 541241
1,2-Isopropylidene-3-decanoylglycerol
CID 171586
Ethyl 9,9-diethoxynonanoate
CID 568557
Methyl 8-[5-(2-acetyloxyoctyl)-1,3-dioxolan-4-yl]octanoate
CID 53317999
Ethyl 8-(2,2-dimethyl-5-octyl-1,3-dioxolan-4-yl)octanoate
CID 53321944
Decanoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
CID 623166
Octanoic acid, 2-(acetyloxy)-1-[(acetyloxy)methyl]ethyl ester
CID 116724
1,3-Dioxolane-2,2-dipropanoic acid, diethyl ester
CID 285696
Glycerinmonolaurat
CID 9884787
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl Octanoate
CID 11230661
2-(2-nonyl-1,3-dioxolan-2-yl)acetic Acid
CID 11288385

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-dioxolan-4-yl)methyl decanoate?
The IUPAC name of (2-methyl-1,3-dioxolan-4-yl)methyl decanoate (CID 58004856) is (2-methyl-1,3-dioxolan-4-yl)methyl decanoate.
What is the SMILES notation for (2-methyl-1,3-dioxolan-4-yl)methyl decanoate?
The canonical SMILES for (2-methyl-1,3-dioxolan-4-yl)methyl decanoate is CCCCCCCCCC(=O)OCC1COC(C)O1.
What is the InChIKey of (2-methyl-1,3-dioxolan-4-yl)methyl decanoate?
The InChIKey is XZSYBPCZUMDSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-3-4-5-6-7-8-9-10-15(16)18-12-14-11-17-13(2)19-14/h13-14H,3-12H2,1-2H3.
What are the key properties of (2-methyl-1,3-dioxolan-4-yl)methyl decanoate?
(2-methyl-1,3-dioxolan-4-yl)methyl decanoate has a molecular weight of 272.38 g/mol, XLogP of 3.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dioxolan-4-yl)methyl decanoate is sourced from PubChem (CID 58004856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).