3-[dimethyl(3,5,5,7,7-pentaethylnonan-3-yl)silyl]oxypentan-3-yl-dimethyl-(2-trimethoxysilylethyl)silane

C33H74O4Si3 — CID 123146128

IUPAC3-[dimethyl(3,5,5,7,7-pentaethylnonan-3-yl)silyl]oxypentan-3-yl-dimethyl-(2-trimethoxysilylethyl)silane
SMILESCCC(CC)(CC)CC(CC)(CC)CC(CC)(CC)[Si](C)(C)OC(CC)(CC)[Si](C)(C)CC[Si](OC)(OC)OC
InChIInChI=1S/C33H74O4Si3/c1-17-30(18-2,19-3)28-31(20-4,21-5)29-32(22-6,23-7)39(15,16)37-33(24-8,25-9)38(13,14)26-27-40(34-10,35-11)36-12/h17-29H2,1-16H3
InChIKeyVWGVGHAFSJOXLQ-UHFFFAOYSA-N
MW619.21 g/mol
LogP11.26
Rot. Bonds23

About 3-[dimethyl(3,5,5,7,7-pentaethylnonan-3-yl)silyl]oxypentan-3-yl-dimethyl-(2-trimethoxysilylethyl)silane

3-[dimethyl(3,5,5,7,7-pentaethylnonan-3-yl)silyl]oxypentan-3-yl-dimethyl-(2-trimethoxysilylethyl)silane (PubChem CID 123146128) has the molecular formula C33H74O4Si3 and a molecular weight of 619.21 g/mol. Its IUPAC name is 3-[dimethyl(3,5,5,7,7-pentaethylnonan-3-yl)silyl]oxypentan-3-yl-dimethyl-(2-trimethoxysilylethyl)silane.

Molecular Properties

Compound Name3-[dimethyl(3,5,5,7,7-pentaethylnonan-3-yl)silyl]oxypentan-3-yl-dimethyl-(2-trimethoxysilylethyl)silane
PubChem CID123146128
Molecular FormulaC33H74O4Si3
Molecular Weight619.21 g/mol
Exact Mass618.49
IUPAC Name3-[dimethyl(3,5,5,7,7-pentaethylnonan-3-yl)silyl]oxypentan-3-yl-dimethyl-(2-trimethoxysilylethyl)silane
SMILESCCC(CC)(CC)CC(CC)(CC)CC(CC)(CC)[Si](C)(C)OC(CC)(CC)[Si](C)(C)CC[Si](OC)(OC)OC
InChIInChI=1S/C33H74O4Si3/c1-17-30(18-2,19-3)28-31(20-4,21-5)29-32(22-6,23-7)39(15,16)37-33(24-8,25-9)38(13,14)26-27-40(34-10,35-11)36-12/h17-29H2,1-16H3
InChIKeyVWGVGHAFSJOXLQ-UHFFFAOYSA-N
XLogP11.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.21
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(3,5,5,7,7-pentaethylnonan-3-yl)silyl]oxypentan-3-yl-dimethyl-(2-trimethoxysilylethyl)silane?
The IUPAC name of 3-[dimethyl(3,5,5,7,7-pentaethylnonan-3-yl)silyl]oxypentan-3-yl-dimethyl-(2-trimethoxysilylethyl)silane (CID 123146128) is 3-[dimethyl(3,5,5,7,7-pentaethylnonan-3-yl)silyl]oxypentan-3-yl-dimethyl-(2-trimethoxysilylethyl)silane.
What is the SMILES notation for 3-[dimethyl(3,5,5,7,7-pentaethylnonan-3-yl)silyl]oxypentan-3-yl-dimethyl-(2-trimethoxysilylethyl)silane?
The canonical SMILES for 3-[dimethyl(3,5,5,7,7-pentaethylnonan-3-yl)silyl]oxypentan-3-yl-dimethyl-(2-trimethoxysilylethyl)silane is CCC(CC)(CC)CC(CC)(CC)CC(CC)(CC)[Si](C)(C)OC(CC)(CC)[Si](C)(C)CC[Si](OC)(OC)OC.
What is the InChIKey of 3-[dimethyl(3,5,5,7,7-pentaethylnonan-3-yl)silyl]oxypentan-3-yl-dimethyl-(2-trimethoxysilylethyl)silane?
The InChIKey is VWGVGHAFSJOXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H74O4Si3/c1-17-30(18-2,19-3)28-31(20-4,21-5)29-32(22-6,23-7)39(15,16)37-33(24-8,25-9)38(13,14)26-27-40(34-10,35-11)36-12/h17-29H2,1-16H3.
What are the key properties of 3-[dimethyl(3,5,5,7,7-pentaethylnonan-3-yl)silyl]oxypentan-3-yl-dimethyl-(2-trimethoxysilylethyl)silane?
3-[dimethyl(3,5,5,7,7-pentaethylnonan-3-yl)silyl]oxypentan-3-yl-dimethyl-(2-trimethoxysilylethyl)silane has a molecular weight of 619.21 g/mol, XLogP of 11.26, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(3,5,5,7,7-pentaethylnonan-3-yl)silyl]oxypentan-3-yl-dimethyl-(2-trimethoxysilylethyl)silane is sourced from PubChem (CID 123146128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).