(1,1-diethoxy-1-methoxy-5-triethoxysilylpentan-2-yl)carbamic acid

C17H37NO8Si — CID 87070086

IUPAC(1,1-diethoxy-1-methoxy-5-triethoxysilylpentan-2-yl)carbamic acid
SMILESCCOC(OC)(OCC)C(CCC[Si](OCC)(OCC)OCC)NC(=O)O
InChIInChI=1S/C17H37NO8Si/c1-7-22-17(21-6,23-8-2)15(18-16(19)20)13-12-14-27(24-9-3,25-10-4)26-11-5/h15,18H,7-14H2,1-6H3,(H,19,20)
InChIKeyGWIPHPUEPZADBK-UHFFFAOYSA-N
MW411.57 g/mol
LogP2.82
Rot. Bonds17

About (1,1-diethoxy-1-methoxy-5-triethoxysilylpentan-2-yl)carbamic acid

(1,1-diethoxy-1-methoxy-5-triethoxysilylpentan-2-yl)carbamic acid (PubChem CID 87070086) has the molecular formula C17H37NO8Si and a molecular weight of 411.57 g/mol. Its IUPAC name is (1,1-diethoxy-1-methoxy-5-triethoxysilylpentan-2-yl)carbamic acid.

Molecular Properties

Compound Name(1,1-diethoxy-1-methoxy-5-triethoxysilylpentan-2-yl)carbamic acid
PubChem CID87070086
Molecular FormulaC17H37NO8Si
Molecular Weight411.57 g/mol
Exact Mass411.23
IUPAC Name(1,1-diethoxy-1-methoxy-5-triethoxysilylpentan-2-yl)carbamic acid
SMILESCCOC(OC)(OCC)C(CCC[Si](OCC)(OCC)OCC)NC(=O)O
InChIInChI=1S/C17H37NO8Si/c1-7-22-17(21-6,23-8-2)15(18-16(19)20)13-12-14-27(24-9-3,25-10-4)26-11-5/h15,18H,7-14H2,1-6H3,(H,19,20)
InChIKeyGWIPHPUEPZADBK-UHFFFAOYSA-N
XLogP2.82
TPSA104.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,1-diethoxy-1-methoxy-5-triethoxysilylpentan-2-yl)carbamic acid?
The IUPAC name of (1,1-diethoxy-1-methoxy-5-triethoxysilylpentan-2-yl)carbamic acid (CID 87070086) is (1,1-diethoxy-1-methoxy-5-triethoxysilylpentan-2-yl)carbamic acid.
What is the SMILES notation for (1,1-diethoxy-1-methoxy-5-triethoxysilylpentan-2-yl)carbamic acid?
The canonical SMILES for (1,1-diethoxy-1-methoxy-5-triethoxysilylpentan-2-yl)carbamic acid is CCOC(OC)(OCC)C(CCC[Si](OCC)(OCC)OCC)NC(=O)O.
What is the InChIKey of (1,1-diethoxy-1-methoxy-5-triethoxysilylpentan-2-yl)carbamic acid?
The InChIKey is GWIPHPUEPZADBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO8Si/c1-7-22-17(21-6,23-8-2)15(18-16(19)20)13-12-14-27(24-9-3,25-10-4)26-11-5/h15,18H,7-14H2,1-6H3,(H,19,20).
What are the key properties of (1,1-diethoxy-1-methoxy-5-triethoxysilylpentan-2-yl)carbamic acid?
(1,1-diethoxy-1-methoxy-5-triethoxysilylpentan-2-yl)carbamic acid has a molecular weight of 411.57 g/mol, XLogP of 2.82, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-diethoxy-1-methoxy-5-triethoxysilylpentan-2-yl)carbamic acid is sourced from PubChem (CID 87070086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).