(2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid

C20H40O3 — CID 6326763

IUPAC(2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)[C@H](O)C(=O)O
InChIInChI=1S/C20H40O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-19,21H,6-14H2,1-5H3,(H,22,23)/t16?,17?,18?,19-/m0/s1
InChIKeyCGKMKXBKVBXUGK-LFVBFMBRSA-N
MW328.54 g/mol
LogP5.51
Rot. Bonds14

About (2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid

(2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid (PubChem CID 6326763) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is (2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid
PubChem CID6326763
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name(2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)[C@H](O)C(=O)O
InChIInChI=1S/C20H40O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-19,21H,6-14H2,1-5H3,(H,22,23)/t16?,17?,18?,19-/m0/s1
InChIKeyCGKMKXBKVBXUGK-LFVBFMBRSA-N
XLogP5.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid?
The IUPAC name of (2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid (CID 6326763) is (2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid is CC(C)CCCC(C)CCCC(C)CCCC(C)[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid?
The InChIKey is CGKMKXBKVBXUGK-LFVBFMBRSA-N. The full InChI is InChI=1S/C20H40O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-19,21H,6-14H2,1-5H3,(H,22,23)/t16?,17?,18?,19-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid?
(2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid has a molecular weight of 328.54 g/mol, XLogP of 5.51, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid is sourced from PubChem (CID 6326763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).