hexadecyl-methyl-octadecyl-(oxan-2-yl)silane

C40H82OSi — CID 175378767

IUPAChexadecyl-methyl-octadecyl-(oxan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCCC[Si](C)(CCCCCCCCCCCCCCCC)C1CCCCO1
InChIInChI=1S/C40H82OSi/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-35-39-42(3,40-36-32-33-37-41-40)38-34-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h40H,4-39H2,1-3H3
InChIKeyLGEDQXTZQLUBSF-UHFFFAOYSA-N
MW607.18 g/mol
LogP14.92
Rot. Bonds33

About hexadecyl-methyl-octadecyl-(oxan-2-yl)silane

hexadecyl-methyl-octadecyl-(oxan-2-yl)silane (PubChem CID 175378767) has the molecular formula C40H82OSi and a molecular weight of 607.18 g/mol. Its IUPAC name is hexadecyl-methyl-octadecyl-(oxan-2-yl)silane.

Molecular Properties

Compound Namehexadecyl-methyl-octadecyl-(oxan-2-yl)silane
PubChem CID175378767
Molecular FormulaC40H82OSi
Molecular Weight607.18 g/mol
Exact Mass606.61
IUPAC Namehexadecyl-methyl-octadecyl-(oxan-2-yl)silane
SMILESCCCCCCCCCCCCCCCCCC[Si](C)(CCCCCCCCCCCCCCCC)C1CCCCO1
InChIInChI=1S/C40H82OSi/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-35-39-42(3,40-36-32-33-37-41-40)38-34-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h40H,4-39H2,1-3H3
InChIKeyLGEDQXTZQLUBSF-UHFFFAOYSA-N
XLogP14.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds33
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.18
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol
CID 175142220
dicyclopentyl-heptyl-methylsilane
CID 162290735
2-octacosoxyoxane
CID 11214102
CID 173055351
CID 173055351
1-(oxan-2-yl)nonan-1-one
CID 114966896
methyl-(oxan-2-yl)-triacontylsilane
CID 173229685
4-[benzyl-methyl-(oxan-2-yl)silyl]butanenitrile
CID 69047618
4-[dimethyl(oxan-2-yl)silyl]butane-1,1-diol
CID 175140530
1-(oxan-2-yl)tridecan-1-amine
CID 115846551
2-dodecylsulfanyloxane;molecular oxygen
CID 161404483
2-(14-hexylsulfanyltetradecyl)oxane
CID 23326746
oxan-2-yl(dipentyl)silane
CID 123620138

Frequently Asked Questions

What is the IUPAC name of hexadecyl-methyl-octadecyl-(oxan-2-yl)silane?
The IUPAC name of hexadecyl-methyl-octadecyl-(oxan-2-yl)silane (CID 175378767) is hexadecyl-methyl-octadecyl-(oxan-2-yl)silane.
What is the SMILES notation for hexadecyl-methyl-octadecyl-(oxan-2-yl)silane?
The canonical SMILES for hexadecyl-methyl-octadecyl-(oxan-2-yl)silane is CCCCCCCCCCCCCCCCCC[Si](C)(CCCCCCCCCCCCCCCC)C1CCCCO1.
What is the InChIKey of hexadecyl-methyl-octadecyl-(oxan-2-yl)silane?
The InChIKey is LGEDQXTZQLUBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H82OSi/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-35-39-42(3,40-36-32-33-37-41-40)38-34-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h40H,4-39H2,1-3H3.
What are the key properties of hexadecyl-methyl-octadecyl-(oxan-2-yl)silane?
hexadecyl-methyl-octadecyl-(oxan-2-yl)silane has a molecular weight of 607.18 g/mol, XLogP of 14.92, 33 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl-methyl-octadecyl-(oxan-2-yl)silane is sourced from PubChem (CID 175378767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).