2-hydroxypropyl 3,7,11,15-tetramethylhexadecanoate

C23H46O3 — CID 166695343

IUPAC2-hydroxypropyl 3,7,11,15-tetramethylhexadecanoate
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)OCC(C)O
InChIInChI=1S/C23H46O3/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-23(25)26-17-22(6)24/h18-22,24H,7-17H2,1-6H3
InChIKeyCWNCHZFSEFXPBU-UHFFFAOYSA-N
MW370.62 g/mol
LogP6.38
Rot. Bonds16

About 2-hydroxypropyl 3,7,11,15-tetramethylhexadecanoate

2-hydroxypropyl 3,7,11,15-tetramethylhexadecanoate (PubChem CID 166695343) has the molecular formula C23H46O3 and a molecular weight of 370.62 g/mol. Its IUPAC name is 2-hydroxypropyl 3,7,11,15-tetramethylhexadecanoate.

Molecular Properties

Compound Name2-hydroxypropyl 3,7,11,15-tetramethylhexadecanoate
PubChem CID166695343
Molecular FormulaC23H46O3
Molecular Weight370.62 g/mol
Exact Mass370.34
IUPAC Name2-hydroxypropyl 3,7,11,15-tetramethylhexadecanoate
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)OCC(C)O
InChIInChI=1S/C23H46O3/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-23(25)26-17-22(6)24/h18-22,24H,7-17H2,1-6H3
InChIKeyCWNCHZFSEFXPBU-UHFFFAOYSA-N
XLogP6.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3R)-2,3,4-trihydroxybutyl] 3,7,11,15-tetramethylhexadecanoate;hydrate
CID 86620073
[(2S)-3-hydroxy-2-methylpropyl] 3,7-dimethyloctanoate
CID 10377179
3,11-dimethyldodecanoyl 3,11-dimethyldodecanoate
CID 175237310
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
sodium 3,7,11-trimethyldodecanoate
CID 23693334
methyl (5R)-5,9-dimethyl-3-oxodecanoate
CID 14369249
bis(6-methylheptyl) 3-methyltridecanedioate
CID 87116761
bis(6-methylheptyl) 3-methylhexadecanedioate
CID 87116782
[(2R)-2,3-bis(3,7,11,15-tetramethylhexadecanoyloxy)propyl] 2,3-dihydroxypropyl phosphate
CID 169049655
pyridin-4-yl 3,7,11,15-tetramethylhexadecanoate
CID 69157610
2-phenoxyethyl 3,7-dimethyloctanoate
CID 59236958
2-[[(2R)-2,3-bis(3,7,11,15-tetramethylhexadecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 18656919

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl 3,7,11,15-tetramethylhexadecanoate?
The IUPAC name of 2-hydroxypropyl 3,7,11,15-tetramethylhexadecanoate (CID 166695343) is 2-hydroxypropyl 3,7,11,15-tetramethylhexadecanoate.
What is the SMILES notation for 2-hydroxypropyl 3,7,11,15-tetramethylhexadecanoate?
The canonical SMILES for 2-hydroxypropyl 3,7,11,15-tetramethylhexadecanoate is CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)OCC(C)O.
What is the InChIKey of 2-hydroxypropyl 3,7,11,15-tetramethylhexadecanoate?
The InChIKey is CWNCHZFSEFXPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O3/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-23(25)26-17-22(6)24/h18-22,24H,7-17H2,1-6H3.
What are the key properties of 2-hydroxypropyl 3,7,11,15-tetramethylhexadecanoate?
2-hydroxypropyl 3,7,11,15-tetramethylhexadecanoate has a molecular weight of 370.62 g/mol, XLogP of 6.38, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl 3,7,11,15-tetramethylhexadecanoate is sourced from PubChem (CID 166695343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).