10-[tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid

C41H84O3Si — CID 57266548

IUPAC10-[tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid
SMILESCCCCCCCCCCCCCCC(C)C(CCCCCCCC(CCCCCCCCC)C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C41H84O3Si/c1-9-11-13-15-17-18-19-20-21-23-25-29-33-37(3)39(44-45(7,8)41(4,5)6)36-32-28-24-27-31-35-38(40(42)43)34-30-26-22-16-14-12-10-2/h37-39H,9-36H2,1-8H3,(H,42,43)
InChIKeyRFQBMIAMDKGPHM-UHFFFAOYSA-N
MW653.21 g/mol
LogP14.68
Rot. Bonds33

About 10-[tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid

10-[tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid (PubChem CID 57266548) has the molecular formula C41H84O3Si and a molecular weight of 653.21 g/mol. Its IUPAC name is 10-[tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid.

Molecular Properties

Compound Name10-[tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid
PubChem CID57266548
Molecular FormulaC41H84O3Si
Molecular Weight653.21 g/mol
Exact Mass652.62
IUPAC Name10-[tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid
SMILESCCCCCCCCCCCCCCC(C)C(CCCCCCCC(CCCCCCCCC)C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C41H84O3Si/c1-9-11-13-15-17-18-19-20-21-23-25-29-33-37(3)39(44-45(7,8)41(4,5)6)36-32-28-24-27-31-35-38(40(42)43)34-30-26-22-16-14-12-10-2/h37-39H,9-36H2,1-8H3,(H,42,43)
InChIKeyRFQBMIAMDKGPHM-UHFFFAOYSA-N
XLogP14.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.21
LogP ≤ 514.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-[tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S,6S,8S,10R,12R,14R,16R,17R)-17-Hydroxy-2,4,6,8,10,12,14,16-octamethyldotriacontanoic acid
CID 72204060
(2S,4S,6S,8S,10S,12S,14S)-17-hydroxy-2,4,6,8,10,12,14-heptamethyltriacontanoic acid
CID 129674139
Hydroxyphthioceranic acid (C31)
CID 52921751
Hydroxyphthioceranic acid (C33)
CID 52921752
Hydroxyphthioceranic acid (C34)
CID 52921753
Hydroxyphthioceranic acid (C36)
CID 52921754
Hydroxyphthioceranic acid (C37)
CID 52921755
Hydroxyphthioceranic acid (C39)
CID 52921756
Hydroxyphthioceranic acid (C40)
CID 52921757
Hydroxyphthioceranic acid (C42)
CID 52921758
Hydroxyphthioceranic acid (C43)
CID 52921759
Hydroxyphthioceranic acid (C45)
CID 52921760

Frequently Asked Questions

What is the IUPAC name of 10-[tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid?
The IUPAC name of 10-[tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid (CID 57266548) is 10-[tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid.
What is the SMILES notation for 10-[tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid?
The canonical SMILES for 10-[tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid is CCCCCCCCCCCCCCC(C)C(CCCCCCCC(CCCCCCCCC)C(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 10-[tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid?
The InChIKey is RFQBMIAMDKGPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H84O3Si/c1-9-11-13-15-17-18-19-20-21-23-25-29-33-37(3)39(44-45(7,8)41(4,5)6)36-32-28-24-27-31-35-38(40(42)43)34-30-26-22-16-14-12-10-2/h37-39H,9-36H2,1-8H3,(H,42,43).
What are the key properties of 10-[tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid?
10-[tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid has a molecular weight of 653.21 g/mol, XLogP of 14.68, 33 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid is sourced from PubChem (CID 57266548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).