(2-isocyanato-4,4-dimethylpentoxy)-dimethoxysilane

C10H21NO4Si — CID 173052095

IUPAC(2-isocyanato-4,4-dimethylpentoxy)-dimethoxysilane
SMILESCO[SiH](OC)OCC(CC(C)(C)C)N=C=O
InChIInChI=1S/C10H21NO4Si/c1-10(2,3)6-9(11-8-12)7-15-16(13-4)14-5/h9,16H,6-7H2,1-5H3
InChIKeyQAGYAEVPQISWIO-UHFFFAOYSA-N
MW247.37 g/mol
LogP1.15
Rot. Bonds7

About (2-isocyanato-4,4-dimethylpentoxy)-dimethoxysilane

(2-isocyanato-4,4-dimethylpentoxy)-dimethoxysilane (PubChem CID 173052095) has the molecular formula C10H21NO4Si and a molecular weight of 247.37 g/mol. Its IUPAC name is (2-isocyanato-4,4-dimethylpentoxy)-dimethoxysilane.

Molecular Properties

Compound Name(2-isocyanato-4,4-dimethylpentoxy)-dimethoxysilane
PubChem CID173052095
Molecular FormulaC10H21NO4Si
Molecular Weight247.37 g/mol
Exact Mass247.12
IUPAC Name(2-isocyanato-4,4-dimethylpentoxy)-dimethoxysilane
SMILESCO[SiH](OC)OCC(CC(C)(C)C)N=C=O
InChIInChI=1S/C10H21NO4Si/c1-10(2,3)6-9(11-8-12)7-15-16(13-4)14-5/h9,16H,6-7H2,1-5H3
InChIKeyQAGYAEVPQISWIO-UHFFFAOYSA-N
XLogP1.15
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-isocyanatoethoxy(dimethoxy)silane
CID 173008486
(2R)-2-isocyanato-4,4-dimethylpentanoic acid
CID 87772661
(1-isocyanato-2-methoxyethyl)-dimethoxysilane
CID 154167733
N-(1-isocyanato-4,4-dimethylpentan-2-yl)methanimine
CID 89362780
(2S)-2-isocyanato-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 58818488
4-isocyanatoheptane
CID 22102269
1,1,1,4-tetrafluoro-3-isocyanato-4-methylpentane
CID 84775073
1,2-dimethoxy-4,4-dimethylpentane
CID 59679444
1-ethenoxy-2-isocyanatobutane
CID 19010669
(3-isocyanato-1,1,3-trimethoxypropyl)silane
CID 160733039
isocyanato-(2-isocyanatobutoxy)-dimethoxysilane
CID 140659845
5-isocyanatononane
CID 153403979

Frequently Asked Questions

What is the IUPAC name of (2-isocyanato-4,4-dimethylpentoxy)-dimethoxysilane?
The IUPAC name of (2-isocyanato-4,4-dimethylpentoxy)-dimethoxysilane (CID 173052095) is (2-isocyanato-4,4-dimethylpentoxy)-dimethoxysilane.
What is the SMILES notation for (2-isocyanato-4,4-dimethylpentoxy)-dimethoxysilane?
The canonical SMILES for (2-isocyanato-4,4-dimethylpentoxy)-dimethoxysilane is CO[SiH](OC)OCC(CC(C)(C)C)N=C=O.
What is the InChIKey of (2-isocyanato-4,4-dimethylpentoxy)-dimethoxysilane?
The InChIKey is QAGYAEVPQISWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4Si/c1-10(2,3)6-9(11-8-12)7-15-16(13-4)14-5/h9,16H,6-7H2,1-5H3.
What are the key properties of (2-isocyanato-4,4-dimethylpentoxy)-dimethoxysilane?
(2-isocyanato-4,4-dimethylpentoxy)-dimethoxysilane has a molecular weight of 247.37 g/mol, XLogP of 1.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-isocyanato-4,4-dimethylpentoxy)-dimethoxysilane is sourced from PubChem (CID 173052095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).