[1-[hydroxy(dimethyl)silyl]oxy-7-methyloctyl] 7-methyloctanoate

C20H42O4Si — CID 141377721

IUPAC[1-[hydroxy(dimethyl)silyl]oxy-7-methyloctyl] 7-methyloctanoate
SMILESCC(C)CCCCCC(=O)OC(CCCCCC(C)C)O[Si](C)(C)O
InChIInChI=1S/C20H42O4Si/c1-17(2)13-9-7-11-15-19(21)23-20(24-25(5,6)22)16-12-8-10-14-18(3)4/h17-18,20,22H,7-16H2,1-6H3
InChIKeyPJOMVSOLUCCJJM-UHFFFAOYSA-N
MW374.64 g/mol
LogP5.78
Rot. Bonds15

About [1-[hydroxy(dimethyl)silyl]oxy-7-methyloctyl] 7-methyloctanoate

[1-[hydroxy(dimethyl)silyl]oxy-7-methyloctyl] 7-methyloctanoate (PubChem CID 141377721) has the molecular formula C20H42O4Si and a molecular weight of 374.64 g/mol. Its IUPAC name is [1-[hydroxy(dimethyl)silyl]oxy-7-methyloctyl] 7-methyloctanoate.

Molecular Properties

Compound Name[1-[hydroxy(dimethyl)silyl]oxy-7-methyloctyl] 7-methyloctanoate
PubChem CID141377721
Molecular FormulaC20H42O4Si
Molecular Weight374.64 g/mol
Exact Mass374.29
IUPAC Name[1-[hydroxy(dimethyl)silyl]oxy-7-methyloctyl] 7-methyloctanoate
SMILESCC(C)CCCCCC(=O)OC(CCCCCC(C)C)O[Si](C)(C)O
InChIInChI=1S/C20H42O4Si/c1-17(2)13-9-7-11-15-19(21)23-20(24-25(5,6)22)16-12-8-10-14-18(3)4/h17-18,20,22H,7-16H2,1-6H3
InChIKeyPJOMVSOLUCCJJM-UHFFFAOYSA-N
XLogP5.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.64
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[hydroxy(dimethyl)silyl]oxy-7-methyloctyl] 7-methyloctanoate?
The IUPAC name of [1-[hydroxy(dimethyl)silyl]oxy-7-methyloctyl] 7-methyloctanoate (CID 141377721) is [1-[hydroxy(dimethyl)silyl]oxy-7-methyloctyl] 7-methyloctanoate.
What is the SMILES notation for [1-[hydroxy(dimethyl)silyl]oxy-7-methyloctyl] 7-methyloctanoate?
The canonical SMILES for [1-[hydroxy(dimethyl)silyl]oxy-7-methyloctyl] 7-methyloctanoate is CC(C)CCCCCC(=O)OC(CCCCCC(C)C)O[Si](C)(C)O.
What is the InChIKey of [1-[hydroxy(dimethyl)silyl]oxy-7-methyloctyl] 7-methyloctanoate?
The InChIKey is PJOMVSOLUCCJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O4Si/c1-17(2)13-9-7-11-15-19(21)23-20(24-25(5,6)22)16-12-8-10-14-18(3)4/h17-18,20,22H,7-16H2,1-6H3.
What are the key properties of [1-[hydroxy(dimethyl)silyl]oxy-7-methyloctyl] 7-methyloctanoate?
[1-[hydroxy(dimethyl)silyl]oxy-7-methyloctyl] 7-methyloctanoate has a molecular weight of 374.64 g/mol, XLogP of 5.78, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[hydroxy(dimethyl)silyl]oxy-7-methyloctyl] 7-methyloctanoate is sourced from PubChem (CID 141377721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).