39-trichlorosilylnonatriacontanoic acid

C39H77Cl3O2Si — CID 87685424

IUPAC39-trichlorosilylnonatriacontanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C39H77Cl3O2Si/c40-45(41,42)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(43)44/h1-38H2,(H,43,44)
InChIKeyOVWZYVMFNGANOQ-UHFFFAOYSA-N
MW712.49 g/mol
LogP16.16
Rot. Bonds39

About 39-trichlorosilylnonatriacontanoic acid

39-trichlorosilylnonatriacontanoic acid (PubChem CID 87685424) has the molecular formula C39H77Cl3O2Si and a molecular weight of 712.49 g/mol. Its IUPAC name is 39-trichlorosilylnonatriacontanoic acid.

Molecular Properties

Compound Name39-trichlorosilylnonatriacontanoic acid
PubChem CID87685424
Molecular FormulaC39H77Cl3O2Si
Molecular Weight712.49 g/mol
Exact Mass710.48
IUPAC Name39-trichlorosilylnonatriacontanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C39H77Cl3O2Si/c40-45(41,42)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(43)44/h1-38H2,(H,43,44)
InChIKeyOVWZYVMFNGANOQ-UHFFFAOYSA-N
XLogP16.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds39
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.49
LogP ≤ 516.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-trichlorosilylhexanoic acid
CID 123653334
18-trichlorosilyloctadecanoic acid
CID 87685456
4-trichlorosilylbutanoic acid;hydrochloride
CID 87576501
27-[chloro(dimethyl)silyl]heptacosanoic acid
CID 87685703
23-[chloro(dimethyl)silyl]tricosanoic acid
CID 87683997
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
triacontanedioic acid
CID 5322010
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185

Frequently Asked Questions

What is the IUPAC name of 39-trichlorosilylnonatriacontanoic acid?
The IUPAC name of 39-trichlorosilylnonatriacontanoic acid (CID 87685424) is 39-trichlorosilylnonatriacontanoic acid.
What is the SMILES notation for 39-trichlorosilylnonatriacontanoic acid?
The canonical SMILES for 39-trichlorosilylnonatriacontanoic acid is O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 39-trichlorosilylnonatriacontanoic acid?
The InChIKey is OVWZYVMFNGANOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H77Cl3O2Si/c40-45(41,42)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(43)44/h1-38H2,(H,43,44).
What are the key properties of 39-trichlorosilylnonatriacontanoic acid?
39-trichlorosilylnonatriacontanoic acid has a molecular weight of 712.49 g/mol, XLogP of 16.16, 39 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 39-trichlorosilylnonatriacontanoic acid is sourced from PubChem (CID 87685424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).