1-isocyanatopentyl(methoxy)silane

C7H15NO2Si — CID 173053707

IUPAC1-isocyanatopentyl(methoxy)silane
SMILESCCCCC(N=C=O)[SiH2]OC
InChIInChI=1S/C7H15NO2Si/c1-3-4-5-7(8-6-9)11-10-2/h7H,3-5,11H2,1-2H3
InChIKeyBJQHIPPEAFIDSZ-UHFFFAOYSA-N
MW173.29 g/mol
LogP0.57
Rot. Bonds6

About 1-isocyanatopentyl(methoxy)silane

1-isocyanatopentyl(methoxy)silane (PubChem CID 173053707) has the molecular formula C7H15NO2Si and a molecular weight of 173.29 g/mol. Its IUPAC name is 1-isocyanatopentyl(methoxy)silane.

Molecular Properties

Compound Name1-isocyanatopentyl(methoxy)silane
PubChem CID173053707
Molecular FormulaC7H15NO2Si
Molecular Weight173.29 g/mol
Exact Mass173.09
IUPAC Name1-isocyanatopentyl(methoxy)silane
SMILESCCCCC(N=C=O)[SiH2]OC
InChIInChI=1S/C7H15NO2Si/c1-3-4-5-7(8-6-9)11-10-2/h7H,3-5,11H2,1-2H3
InChIKeyBJQHIPPEAFIDSZ-UHFFFAOYSA-N
XLogP0.57
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.29
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

1-isocyanatobutyl(pentan-3-yloxy)silane
CID 173007220
5-isocyanatononane
CID 153403979
methyl 2-isocyanatohexanoate
CID 22163534
1-ethoxy-1-isocyanatopentane
CID 155127899
ethyl 2-isocyanatohexanoate
CID 86762632
(7S)-1,7-diisocyanatoundecane
CID 89383286
3,4-diisocyanato-2-methyloctane
CID 141160097
1,1-diisocyanatohexane;hydrogen peroxide
CID 174421669
(2S)-2-isocyanatooctane
CID 7018274
methyl (2S)-2-isocyanatooctanoate
CID 145435405
methyl 2-isocyanatononanoate
CID 141217801
N-(1-isocyanatopentyl)formamide
CID 89207279

Frequently Asked Questions

What is the IUPAC name of 1-isocyanatopentyl(methoxy)silane?
The IUPAC name of 1-isocyanatopentyl(methoxy)silane (CID 173053707) is 1-isocyanatopentyl(methoxy)silane.
What is the SMILES notation for 1-isocyanatopentyl(methoxy)silane?
The canonical SMILES for 1-isocyanatopentyl(methoxy)silane is CCCCC(N=C=O)[SiH2]OC.
What is the InChIKey of 1-isocyanatopentyl(methoxy)silane?
The InChIKey is BJQHIPPEAFIDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2Si/c1-3-4-5-7(8-6-9)11-10-2/h7H,3-5,11H2,1-2H3.
What are the key properties of 1-isocyanatopentyl(methoxy)silane?
1-isocyanatopentyl(methoxy)silane has a molecular weight of 173.29 g/mol, XLogP of 0.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isocyanatopentyl(methoxy)silane is sourced from PubChem (CID 173053707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).