butyl-(4-isocyanatopentoxy)-dimethoxysilane

C12H25NO4Si — CID 175356761

IUPACbutyl-(4-isocyanatopentoxy)-dimethoxysilane
SMILESCCCC[Si](OC)(OC)OCCCC(C)N=C=O
InChIInChI=1S/C12H25NO4Si/c1-5-6-10-18(15-3,16-4)17-9-7-8-12(2)13-11-14/h12H,5-10H2,1-4H3
InChIKeyLSSNDJLLCITOKB-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.54
Rot. Bonds11

About butyl-(4-isocyanatopentoxy)-dimethoxysilane

butyl-(4-isocyanatopentoxy)-dimethoxysilane (PubChem CID 175356761) has the molecular formula C12H25NO4Si and a molecular weight of 275.42 g/mol. Its IUPAC name is butyl-(4-isocyanatopentoxy)-dimethoxysilane.

Molecular Properties

Compound Namebutyl-(4-isocyanatopentoxy)-dimethoxysilane
PubChem CID175356761
Molecular FormulaC12H25NO4Si
Molecular Weight275.42 g/mol
Exact Mass275.16
IUPAC Namebutyl-(4-isocyanatopentoxy)-dimethoxysilane
SMILESCCCC[Si](OC)(OC)OCCCC(C)N=C=O
InChIInChI=1S/C12H25NO4Si/c1-5-6-10-18(15-3,16-4)17-9-7-8-12(2)13-11-14/h12H,5-10H2,1-4H3
InChIKeyLSSNDJLLCITOKB-UHFFFAOYSA-N
XLogP2.54
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

butoxy-butyl-dimethoxysilane
CID 139714527
butyl-methoxy-dipropoxysilane
CID 18672915
1-chloro-4-isocyanatopentane
CID 158579736
N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine
CID 175131776
3-[dimethoxy(undecyl)silyl]oxypropan-1-amine
CID 156751574
3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine
CID 163213327
4-[3-isocyanatopropyl(dimethoxy)silyl]oxybutane-1-thiol
CID 150585258
2-bromoethoxy-dimethoxy-pentylsilane
CID 142614027
isocyanic acid;tributoxy(pentyl)silane
CID 172778190
N'-[3-[dimethoxy(propyl)silyl]oxypropyl]ethane-1,2-diamine
CID 141429478
1,3-diisocyanatobutane
CID 22019922
2-[(4-chloro-4,5-dimethylhenicosyl)-dimethoxysilyl]oxyethanol
CID 87605356

Frequently Asked Questions

What is the IUPAC name of butyl-(4-isocyanatopentoxy)-dimethoxysilane?
The IUPAC name of butyl-(4-isocyanatopentoxy)-dimethoxysilane (CID 175356761) is butyl-(4-isocyanatopentoxy)-dimethoxysilane.
What is the SMILES notation for butyl-(4-isocyanatopentoxy)-dimethoxysilane?
The canonical SMILES for butyl-(4-isocyanatopentoxy)-dimethoxysilane is CCCC[Si](OC)(OC)OCCCC(C)N=C=O.
What is the InChIKey of butyl-(4-isocyanatopentoxy)-dimethoxysilane?
The InChIKey is LSSNDJLLCITOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4Si/c1-5-6-10-18(15-3,16-4)17-9-7-8-12(2)13-11-14/h12H,5-10H2,1-4H3.
What are the key properties of butyl-(4-isocyanatopentoxy)-dimethoxysilane?
butyl-(4-isocyanatopentoxy)-dimethoxysilane has a molecular weight of 275.42 g/mol, XLogP of 2.54, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(4-isocyanatopentoxy)-dimethoxysilane is sourced from PubChem (CID 175356761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).