(2S,4S,6S,8R,10R)-11-hydroxy-2,4,6,8,10-pentamethyloctacosanoic acid

C33H66O3 — CID 52921752

IUPAC(2S,4S,6S,8R,10R)-11-hydroxy-2,4,6,8,10-pentamethyloctacosanoic acid
SMILESCCCCCCCCCCCCCCCCCC(O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)O
InChIInChI=1S/C33H66O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-32(34)30(5)25-28(3)23-27(2)24-29(4)26-31(6)33(35)36/h27-32,34H,7-26H2,1-6H3,(H,35,36)/t27-,28+,29-,30+,31-,32?/m0/s1
InChIKeyQRMAELCSTFPFKM-CZRCJVRHSA-N
MW510.89 g/mol
LogP10.43
Rot. Bonds26

About (2S,4S,6S,8R,10R)-11-hydroxy-2,4,6,8,10-pentamethyloctacosanoic acid

(2S,4S,6S,8R,10R)-11-hydroxy-2,4,6,8,10-pentamethyloctacosanoic acid (PubChem CID 52921752) has the molecular formula C33H66O3 and a molecular weight of 510.89 g/mol. Its IUPAC name is (2S,4S,6S,8R,10R)-11-hydroxy-2,4,6,8,10-pentamethyloctacosanoic acid.

Molecular Properties

Compound Name(2S,4S,6S,8R,10R)-11-hydroxy-2,4,6,8,10-pentamethyloctacosanoic acid
PubChem CID52921752
Molecular FormulaC33H66O3
Molecular Weight510.89 g/mol
Exact Mass510.50
IUPAC Name(2S,4S,6S,8R,10R)-11-hydroxy-2,4,6,8,10-pentamethyloctacosanoic acid
SMILESCCCCCCCCCCCCCCCCCC(O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)O
InChIInChI=1S/C33H66O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-32(34)30(5)25-28(3)23-27(2)24-29(4)26-31(6)33(35)36/h27-32,34H,7-26H2,1-6H3,(H,35,36)/t27-,28+,29-,30+,31-,32?/m0/s1
InChIKeyQRMAELCSTFPFKM-CZRCJVRHSA-N
XLogP10.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.89
LogP ≤ 510.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S,8R,10R)-11-hydroxy-2,4,6,8,10-pentamethyloctacosanoic acid?
The IUPAC name of (2S,4S,6S,8R,10R)-11-hydroxy-2,4,6,8,10-pentamethyloctacosanoic acid (CID 52921752) is (2S,4S,6S,8R,10R)-11-hydroxy-2,4,6,8,10-pentamethyloctacosanoic acid.
What is the SMILES notation for (2S,4S,6S,8R,10R)-11-hydroxy-2,4,6,8,10-pentamethyloctacosanoic acid?
The canonical SMILES for (2S,4S,6S,8R,10R)-11-hydroxy-2,4,6,8,10-pentamethyloctacosanoic acid is CCCCCCCCCCCCCCCCCC(O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)O.
What is the InChIKey of (2S,4S,6S,8R,10R)-11-hydroxy-2,4,6,8,10-pentamethyloctacosanoic acid?
The InChIKey is QRMAELCSTFPFKM-CZRCJVRHSA-N. The full InChI is InChI=1S/C33H66O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-32(34)30(5)25-28(3)23-27(2)24-29(4)26-31(6)33(35)36/h27-32,34H,7-26H2,1-6H3,(H,35,36)/t27-,28+,29-,30+,31-,32?/m0/s1.
What are the key properties of (2S,4S,6S,8R,10R)-11-hydroxy-2,4,6,8,10-pentamethyloctacosanoic acid?
(2S,4S,6S,8R,10R)-11-hydroxy-2,4,6,8,10-pentamethyloctacosanoic acid has a molecular weight of 510.89 g/mol, XLogP of 10.43, 26 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S,8R,10R)-11-hydroxy-2,4,6,8,10-pentamethyloctacosanoic acid is sourced from PubChem (CID 52921752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).