methyl-(oxan-2-yl)-triacontylsilane

C36H74OSi — CID 173229685

IUPACmethyl-(oxan-2-yl)-triacontylsilane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](C)C1CCCCO1
InChIInChI=1S/C36H74OSi/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-32-35-38(2)36-33-30-31-34-37-36/h36,38H,3-35H2,1-2H3
InChIKeyMZEGBJIIIIROSB-UHFFFAOYSA-N
MW551.07 g/mol
LogP12.89
Rot. Bonds30

About methyl-(oxan-2-yl)-triacontylsilane

methyl-(oxan-2-yl)-triacontylsilane (PubChem CID 173229685) has the molecular formula C36H74OSi and a molecular weight of 551.07 g/mol. Its IUPAC name is methyl-(oxan-2-yl)-triacontylsilane.

Molecular Properties

Compound Namemethyl-(oxan-2-yl)-triacontylsilane
PubChem CID173229685
Molecular FormulaC36H74OSi
Molecular Weight551.07 g/mol
Exact Mass550.55
IUPAC Namemethyl-(oxan-2-yl)-triacontylsilane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](C)C1CCCCO1
InChIInChI=1S/C36H74OSi/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-32-35-38(2)36-33-30-31-34-37-36/h36,38H,3-35H2,1-2H3
InChIKeyMZEGBJIIIIROSB-UHFFFAOYSA-N
XLogP12.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.07
LogP ≤ 512.89
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

5-[methyl(oxan-2-yl)silyl]pentan-1-amine
CID 123221255
oxan-2-yl(dipentyl)silane
CID 123620138
3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate
CID 123433393
2-octacosoxyoxane
CID 11214102
dimethyl(oxan-2-yl)silane;methane
CID 172999367
2-dodecylsulfanyloxane;molecular oxygen
CID 161404483
dimethoxy(oxan-2-yl)silane
CID 123986138
3-(oxan-2-yloxy)tetradec-2-enal
CID 173358094
CID 173055351
CID 173055351
hexadecyl-methyl-octadecyl-(oxan-2-yl)silane
CID 175378767
1-(oxan-2-yl)nonan-3-amine
CID 115833397
1-(oxan-2-yl)nonan-1-one
CID 114966896

Frequently Asked Questions

What is the IUPAC name of methyl-(oxan-2-yl)-triacontylsilane?
The IUPAC name of methyl-(oxan-2-yl)-triacontylsilane (CID 173229685) is methyl-(oxan-2-yl)-triacontylsilane.
What is the SMILES notation for methyl-(oxan-2-yl)-triacontylsilane?
The canonical SMILES for methyl-(oxan-2-yl)-triacontylsilane is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](C)C1CCCCO1.
What is the InChIKey of methyl-(oxan-2-yl)-triacontylsilane?
The InChIKey is MZEGBJIIIIROSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74OSi/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-32-35-38(2)36-33-30-31-34-37-36/h36,38H,3-35H2,1-2H3.
What are the key properties of methyl-(oxan-2-yl)-triacontylsilane?
methyl-(oxan-2-yl)-triacontylsilane has a molecular weight of 551.07 g/mol, XLogP of 12.89, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(oxan-2-yl)-triacontylsilane is sourced from PubChem (CID 173229685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).