diethoxy(7-isocyanatoheptan-2-yl)silane

C12H25NO3Si — CID 154084037

IUPACdiethoxy(7-isocyanatoheptan-2-yl)silane
SMILESCCO[SiH](OCC)C(C)CCCCCN=C=O
InChIInChI=1S/C12H25NO3Si/c1-4-15-17(16-5-2)12(3)9-7-6-8-10-13-11-14/h12,17H,4-10H2,1-3H3
InChIKeyMHUDAXQABFWKEC-UHFFFAOYSA-N
MW259.42 g/mol
LogP2.57
Rot. Bonds11

About diethoxy(7-isocyanatoheptan-2-yl)silane

diethoxy(7-isocyanatoheptan-2-yl)silane (PubChem CID 154084037) has the molecular formula C12H25NO3Si and a molecular weight of 259.42 g/mol. Its IUPAC name is diethoxy(7-isocyanatoheptan-2-yl)silane.

Molecular Properties

Compound Namediethoxy(7-isocyanatoheptan-2-yl)silane
PubChem CID154084037
Molecular FormulaC12H25NO3Si
Molecular Weight259.42 g/mol
Exact Mass259.16
IUPAC Namediethoxy(7-isocyanatoheptan-2-yl)silane
SMILESCCO[SiH](OCC)C(C)CCCCCN=C=O
InChIInChI=1S/C12H25NO3Si/c1-4-15-17(16-5-2)12(3)9-7-6-8-10-13-11-14/h12,17H,4-10H2,1-3H3
InChIKeyMHUDAXQABFWKEC-UHFFFAOYSA-N
XLogP2.57
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-isocyanato-23-methyltetracosane
CID 140840712
(1-chloro-4-isocyanatobutan-2-yl)-diethoxysilane
CID 151254324
diethoxy-(8-isocyanatooctan-2-yloxy)-methylsilane
CID 175410263
1,10-diisocyanatodecane;1,12-diisocyanatododecane
CID 126503786
1,15-diisocyanatopentadecane
CID 14454785
1,6-diisocyanatohexane;1,5-diisocyanatopentane
CID 23110384
1-isocyanatodotriacontane
CID 87857577
10-isocyanatodecan-2-yl prop-2-enoate
CID 141427144
1-isocyanato-10-prop-1-enoxyundecane
CID 151949072
ethyl (2S)-2,6-diisocyanatohexanoate
CID 71440643
ethyl 2,6-diisocyanatohexanoate
CID 10013919
(7S)-1,7-diisocyanatoundecane
CID 89383286

Frequently Asked Questions

What is the IUPAC name of diethoxy(7-isocyanatoheptan-2-yl)silane?
The IUPAC name of diethoxy(7-isocyanatoheptan-2-yl)silane (CID 154084037) is diethoxy(7-isocyanatoheptan-2-yl)silane.
What is the SMILES notation for diethoxy(7-isocyanatoheptan-2-yl)silane?
The canonical SMILES for diethoxy(7-isocyanatoheptan-2-yl)silane is CCO[SiH](OCC)C(C)CCCCCN=C=O.
What is the InChIKey of diethoxy(7-isocyanatoheptan-2-yl)silane?
The InChIKey is MHUDAXQABFWKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3Si/c1-4-15-17(16-5-2)12(3)9-7-6-8-10-13-11-14/h12,17H,4-10H2,1-3H3.
What are the key properties of diethoxy(7-isocyanatoheptan-2-yl)silane?
diethoxy(7-isocyanatoheptan-2-yl)silane has a molecular weight of 259.42 g/mol, XLogP of 2.57, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(7-isocyanatoheptan-2-yl)silane is sourced from PubChem (CID 154084037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).