methyl 2,2-diethyl-10-hydroxydecanoate

C15H30O3 — CID 154931124

IUPACmethyl 2,2-diethyl-10-hydroxydecanoate
SMILESCCC(CC)(CCCCCCCCO)C(=O)OC
InChIInChI=1S/C15H30O3/c1-4-15(5-2,14(17)18-3)12-10-8-6-7-9-11-13-16/h16H,4-13H2,1-3H3
InChIKeyZWBLMCXWXUILQT-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.69
Rot. Bonds11

About methyl 2,2-diethyl-10-hydroxydecanoate

methyl 2,2-diethyl-10-hydroxydecanoate (PubChem CID 154931124) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is methyl 2,2-diethyl-10-hydroxydecanoate.

Molecular Properties

Compound Namemethyl 2,2-diethyl-10-hydroxydecanoate
PubChem CID154931124
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Namemethyl 2,2-diethyl-10-hydroxydecanoate
SMILESCCC(CC)(CCCCCCCCO)C(=O)OC
InChIInChI=1S/C15H30O3/c1-4-15(5-2,14(17)18-3)12-10-8-6-7-9-11-13-16/h16H,4-13H2,1-3H3
InChIKeyZWBLMCXWXUILQT-UHFFFAOYSA-N
XLogP3.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-2,2-diethylpentanoate
CID 18784900
2-hydroxyethyl 2,2-diethyloctanoate
CID 164897952
2,2-diethyl-5-hydroxypentanoic acid
CID 79425038
methyl 2-butyl-2-(hydroxymethyl)hexanoate
CID 175319412
λ2-stannane;methyl 2,2-dibutylhexanoate
CID 174859558
methyl 2-amino-6-hydroxy-2-methylhexanoate
CID 88883524
methyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate
CID 129202737
3-hydroxypropyl 2,2-diethylbutanoate
CID 174412834
7-methoxy-7-methyloctan-1-ol
CID 175444354
dimethyl 2,2-di(nonyl)propanedioate
CID 166760695
ethyl 2,2-difluoro-12-hydroxydodecanoate
CID 15076440
2-ethoxycarbonyl-2-ethyl-8-hydroxyoctanoic acid
CID 107708130

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-diethyl-10-hydroxydecanoate?
The IUPAC name of methyl 2,2-diethyl-10-hydroxydecanoate (CID 154931124) is methyl 2,2-diethyl-10-hydroxydecanoate.
What is the SMILES notation for methyl 2,2-diethyl-10-hydroxydecanoate?
The canonical SMILES for methyl 2,2-diethyl-10-hydroxydecanoate is CCC(CC)(CCCCCCCCO)C(=O)OC.
What is the InChIKey of methyl 2,2-diethyl-10-hydroxydecanoate?
The InChIKey is ZWBLMCXWXUILQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-4-15(5-2,14(17)18-3)12-10-8-6-7-9-11-13-16/h16H,4-13H2,1-3H3.
What are the key properties of methyl 2,2-diethyl-10-hydroxydecanoate?
methyl 2,2-diethyl-10-hydroxydecanoate has a molecular weight of 258.40 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-diethyl-10-hydroxydecanoate is sourced from PubChem (CID 154931124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).