propan-2-yl 5-hydroxydodecanoate

C15H30O3 — CID 14065444

IUPACpropan-2-yl 5-hydroxydodecanoate
SMILESCCCCCCCC(O)CCCC(=O)OC(C)C
InChIInChI=1S/C15H30O3/c1-4-5-6-7-8-10-14(16)11-9-12-15(17)18-13(2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyFGIXHDVNIMSJMX-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.83
Rot. Bonds11

About propan-2-yl 5-hydroxydodecanoate

propan-2-yl 5-hydroxydodecanoate (PubChem CID 14065444) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is propan-2-yl 5-hydroxydodecanoate.

Molecular Properties

Compound Namepropan-2-yl 5-hydroxydodecanoate
PubChem CID14065444
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Namepropan-2-yl 5-hydroxydodecanoate
SMILESCCCCCCCC(O)CCCC(=O)OC(C)C
InChIInChI=1S/C15H30O3/c1-4-5-6-7-8-10-14(16)11-9-12-15(17)18-13(2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyFGIXHDVNIMSJMX-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
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

propan-2-yl undecanoate
CID 3016538
propan-2-yl dodecanoate;titanium(2+)
CID 18314327
ditridecan-7-yl 7-hydroxytridecanedioate
CID 166055317
ethyl 5-hydroxyhexadecanoate
CID 171612820
decanoyl 7-hydroxyoctacosanoate
CID 91199944
hexadecanoyl 9-hydroxyheptadecanoate
CID 150036681
10-hydroxyhexadecanoyl 12-hydroxydocosanoate
CID 174632216
dodecanoyl 12-hydroxyoctadecanoate
CID 88699901
propan-2-yl 7-methyloctanoate;tetradecanoic acid
CID 174998882
hexadecanoic acid;propan-2-yl octadecanoate
CID 88712147
methyl 9-hydroxyoctadecanoate
CID 593159
methyl (9R)-9-hydroxydocosanoate
CID 134814034

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-hydroxydodecanoate?
The IUPAC name of propan-2-yl 5-hydroxydodecanoate (CID 14065444) is propan-2-yl 5-hydroxydodecanoate.
What is the SMILES notation for propan-2-yl 5-hydroxydodecanoate?
The canonical SMILES for propan-2-yl 5-hydroxydodecanoate is CCCCCCCC(O)CCCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 5-hydroxydodecanoate?
The InChIKey is FGIXHDVNIMSJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-4-5-6-7-8-10-14(16)11-9-12-15(17)18-13(2)3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of propan-2-yl 5-hydroxydodecanoate?
propan-2-yl 5-hydroxydodecanoate has a molecular weight of 258.40 g/mol, XLogP of 3.83, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-hydroxydodecanoate is sourced from PubChem (CID 14065444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).