3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate

C24H48O3 — CID 166505156

IUPAC3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(=O)C(C)(C)O
InChIInChI=1S/C24H48O3/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-22(5)17-18-27-23(25)24(6,7)26/h19-22,26H,8-18H2,1-7H3
InChIKeyISTNAHJIJOMMGR-UHFFFAOYSA-N
MW384.65 g/mol
LogP6.77
Rot. Bonds16

About 3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate

3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate (PubChem CID 166505156) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is 3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate
PubChem CID166505156
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Name3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(=O)C(C)(C)O
InChIInChI=1S/C24H48O3/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-22(5)17-18-27-23(25)24(6,7)26/h19-22,26H,8-18H2,1-7H3
InChIKeyISTNAHJIJOMMGR-UHFFFAOYSA-N
XLogP6.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-(3,7-dimethyloctyl) 3-O-ethyl 2,2-diethylpropanedioate
CID 91725837
1-O-(3,7-dimethyloctyl) 3-O-hexyl 2,2-diethylpropanedioate
CID 91691790
3,7-dimethyloctyl pentanoate
CID 3022687
5-methylhexyl 2,2-dimethylpropanoate
CID 88620729
triethyl 1-hydroxy-2-(3,7,11-trimethyldodecoxy)ethane-1,1,2-tricarboxylate
CID 139655789
3,7-dimethyloctyl 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate
CID 59620737
2-methylpentyl 2-hydroxy-2-methylpropanoate
CID 89018775
3,7,11,15-tetramethylhexadecyl octanoate
CID 87585610
[(3R)-3,7-dimethyloctyl] octadecanoate
CID 98525173
4-methylpentyl 3-amino-2,2,3-trimethylbutanoate
CID 65266065
3,7-dimethyloctyl 4-hydroxybenzoate
CID 139634402
7-O-(3,7-dimethyloctyl) 1-O-octyl heptanedioate
CID 91718434

Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate?
The IUPAC name of 3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate (CID 166505156) is 3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate.
What is the SMILES notation for 3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate?
The canonical SMILES for 3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate is CC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(=O)C(C)(C)O.
What is the InChIKey of 3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate?
The InChIKey is ISTNAHJIJOMMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O3/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-22(5)17-18-27-23(25)24(6,7)26/h19-22,26H,8-18H2,1-7H3.
What are the key properties of 3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate?
3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate has a molecular weight of 384.65 g/mol, XLogP of 6.77, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 166505156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).