isocyanic acid;trimethoxy(propan-2-yl)silane

C7H17NO4Si — CID 172724579

IUPACisocyanic acid;trimethoxy(propan-2-yl)silane
SMILESCO[Si](OC)(OC)C(C)C.N=C=O
InChIInChI=1S/C6H16O3Si.CHNO/c1-6(2)10(7-3,8-4)9-5;2-1-3/h6H,1-5H3;2H
InChIKeyGYVXZMKGTBIXMQ-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.18
Rot. Bonds4

About isocyanic acid;trimethoxy(propan-2-yl)silane

isocyanic acid;trimethoxy(propan-2-yl)silane (PubChem CID 172724579) has the molecular formula C7H17NO4Si and a molecular weight of 207.30 g/mol. Its IUPAC name is isocyanic acid;trimethoxy(propan-2-yl)silane.

Molecular Properties

Compound Nameisocyanic acid;trimethoxy(propan-2-yl)silane
PubChem CID172724579
Molecular FormulaC7H17NO4Si
Molecular Weight207.30 g/mol
Exact Mass207.09
IUPAC Nameisocyanic acid;trimethoxy(propan-2-yl)silane
SMILESCO[Si](OC)(OC)C(C)C.N=C=O
InChIInChI=1S/C6H16O3Si.CHNO/c1-6(2)10(7-3,8-4)9-5;2-1-3/h6H,1-5H3;2H
InChIKeyGYVXZMKGTBIXMQ-UHFFFAOYSA-N
XLogP1.18
TPSA68.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of isocyanic acid;trimethoxy(propan-2-yl)silane?
The IUPAC name of isocyanic acid;trimethoxy(propan-2-yl)silane (CID 172724579) is isocyanic acid;trimethoxy(propan-2-yl)silane.
What is the SMILES notation for isocyanic acid;trimethoxy(propan-2-yl)silane?
The canonical SMILES for isocyanic acid;trimethoxy(propan-2-yl)silane is CO[Si](OC)(OC)C(C)C.N=C=O.
What is the InChIKey of isocyanic acid;trimethoxy(propan-2-yl)silane?
The InChIKey is GYVXZMKGTBIXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3Si.CHNO/c1-6(2)10(7-3,8-4)9-5;2-1-3/h6H,1-5H3;2H.
What are the key properties of isocyanic acid;trimethoxy(propan-2-yl)silane?
isocyanic acid;trimethoxy(propan-2-yl)silane has a molecular weight of 207.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;trimethoxy(propan-2-yl)silane is sourced from PubChem (CID 172724579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).