diethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane

C14H29NO4Si — CID 175410263

IUPACdiethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane
SMILESCCO[Si](C)(OCC)OC(C)CCCCCCN=C=O
InChIInChI=1S/C14H29NO4Si/c1-5-17-20(4,18-6-2)19-14(3)11-9-7-8-10-12-15-13-16/h14H,5-12H2,1-4H3
InChIKeyGECXRLBJWSNJQS-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.32
Rot. Bonds13

About diethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane

diethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane (PubChem CID 175410263) has the molecular formula C14H29NO4Si and a molecular weight of 303.48 g/mol. Its IUPAC name is diethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane.

Molecular Properties

Compound Namediethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane
PubChem CID175410263
Molecular FormulaC14H29NO4Si
Molecular Weight303.48 g/mol
Exact Mass303.19
IUPAC Namediethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane
SMILESCCO[Si](C)(OCC)OC(C)CCCCCCN=C=O
InChIInChI=1S/C14H29NO4Si/c1-5-17-20(4,18-6-2)19-14(3)11-9-7-8-10-12-15-13-16/h14H,5-12H2,1-4H3
InChIKeyGECXRLBJWSNJQS-UHFFFAOYSA-N
XLogP3.32
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.32
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

diethoxy-hexadecan-2-yloxy-methylsilane
CID 176915381
1-isocyanato-23-methyltetracosane
CID 140840712
triethoxy(38-isocyanatooctatriacontyl)silane
CID 87685744
triethoxy(30-isocyanatotriacontyl)silane
CID 87683947
triethoxy(33-isocyanatotritriacontyl)silane
CID 87684827
CID 163283503
CID 163283503
diethoxy(7-isocyanatoheptan-2-yl)silane
CID 154084037
1-isocyanato-10-prop-1-enoxyundecane
CID 151949072
10-isocyanatodecan-2-yl prop-2-enoate
CID 141427144
1,10-diisocyanatodecane;1,12-diisocyanatododecane
CID 126503786
1,15-diisocyanatopentadecane
CID 14454785
1,6-diisocyanatohexane;1,5-diisocyanatopentane
CID 23110384

Frequently Asked Questions

What is the IUPAC name of diethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane?
The IUPAC name of diethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane (CID 175410263) is diethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane.
What is the SMILES notation for diethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane?
The canonical SMILES for diethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane is CCO[Si](C)(OCC)OC(C)CCCCCCN=C=O.
What is the InChIKey of diethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane?
The InChIKey is GECXRLBJWSNJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4Si/c1-5-17-20(4,18-6-2)19-14(3)11-9-7-8-10-12-15-13-16/h14H,5-12H2,1-4H3.
What are the key properties of diethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane?
diethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane has a molecular weight of 303.48 g/mol, XLogP of 3.32, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane is sourced from PubChem (CID 175410263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).