bis[dimethyl(octadecoxy)silyl]methanone

C41H86O3Si2 — CID 141005910

IUPACbis[dimethyl(octadecoxy)silyl]methanone
SMILESCCCCCCCCCCCCCCCCCCO[Si](C)(C)C(=O)[Si](C)(C)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H86O3Si2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-45(3,4)41(42)46(5,6)44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h7-40H2,1-6H3
InChIKeyKXXIYLABMQTSPE-UHFFFAOYSA-N
MW683.31 g/mol
LogP15.24
Rot. Bonds38

About bis[dimethyl(octadecoxy)silyl]methanone

bis[dimethyl(octadecoxy)silyl]methanone (PubChem CID 141005910) has the molecular formula C41H86O3Si2 and a molecular weight of 683.31 g/mol. Its IUPAC name is bis[dimethyl(octadecoxy)silyl]methanone.

Molecular Properties

Compound Namebis[dimethyl(octadecoxy)silyl]methanone
PubChem CID141005910
Molecular FormulaC41H86O3Si2
Molecular Weight683.31 g/mol
Exact Mass682.61
IUPAC Namebis[dimethyl(octadecoxy)silyl]methanone
SMILESCCCCCCCCCCCCCCCCCCO[Si](C)(C)C(=O)[Si](C)(C)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H86O3Si2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-45(3,4)41(42)46(5,6)44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h7-40H2,1-6H3
InChIKeyKXXIYLABMQTSPE-UHFFFAOYSA-N
XLogP15.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds38
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.31
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

triheptoxy(methyl)silane
CID 525768
hexoxy-dimethyl-nonoxysilane
CID 91741085
tri(icosoxy)-methylsilane
CID 163923848
hexoxy-dimethyl-undecoxysilane
CID 91742305
trihydroxy(tetradecoxy)silane
CID 87382904
didodecoxy(dihydroxy)silane
CID 175350678
decyl trihexyl silicate
CID 141280760
triheptyl pentyl silicate
CID 141280740
nonyl tripentyl silicate
CID 141280747
tributyl octyl silicate
CID 141280761
butyl-dimethyl-octoxysilane
CID 604386
hexadecoxy-dimethyl-octylsilane
CID 627002

Frequently Asked Questions

What is the IUPAC name of bis[dimethyl(octadecoxy)silyl]methanone?
The IUPAC name of bis[dimethyl(octadecoxy)silyl]methanone (CID 141005910) is bis[dimethyl(octadecoxy)silyl]methanone.
What is the SMILES notation for bis[dimethyl(octadecoxy)silyl]methanone?
The canonical SMILES for bis[dimethyl(octadecoxy)silyl]methanone is CCCCCCCCCCCCCCCCCCO[Si](C)(C)C(=O)[Si](C)(C)OCCCCCCCCCCCCCCCCCC.
What is the InChIKey of bis[dimethyl(octadecoxy)silyl]methanone?
The InChIKey is KXXIYLABMQTSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H86O3Si2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-45(3,4)41(42)46(5,6)44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h7-40H2,1-6H3.
What are the key properties of bis[dimethyl(octadecoxy)silyl]methanone?
bis[dimethyl(octadecoxy)silyl]methanone has a molecular weight of 683.31 g/mol, XLogP of 15.24, 38 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[dimethyl(octadecoxy)silyl]methanone is sourced from PubChem (CID 141005910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).