5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

C19H32N2O4Si — CID 19904721

IUPAC5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(C2CCC(O[Si](C)(C)C(C)(C)C)CC2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C19H32N2O4Si/c1-7-12-19(15(22)20-17(24)21-16(19)23)13-8-10-14(11-9-13)25-26(5,6)18(2,3)4/h7,13-14H,1,8-12H2,2-6H3,(H2,20,21,22,23,24)
InChIKeyIEDPKJMUUUIOFJ-UHFFFAOYSA-N
MW380.56 g/mol
LogP3.50
Rot. Bonds5

About 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 19904721) has the molecular formula C19H32N2O4Si and a molecular weight of 380.56 g/mol. Its IUPAC name is 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID19904721
Molecular FormulaC19H32N2O4Si
Molecular Weight380.56 g/mol
Exact Mass380.21
IUPAC Name5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(C2CCC(O[Si](C)(C)C(C)(C)C)CC2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C19H32N2O4Si/c1-7-12-19(15(22)20-17(24)21-16(19)23)13-8-10-14(11-9-13)25-26(5,6)18(2,3)4/h7,13-14H,1,8-12H2,2-6H3,(H2,20,21,22,23,24)
InChIKeyIEDPKJMUUUIOFJ-UHFFFAOYSA-N
XLogP3.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 19904721) is 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCC1(C2CCC(O[Si](C)(C)C(C)(C)C)CC2)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is IEDPKJMUUUIOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4Si/c1-7-12-19(15(22)20-17(24)21-16(19)23)13-8-10-14(11-9-13)25-26(5,6)18(2,3)4/h7,13-14H,1,8-12H2,2-6H3,(H2,20,21,22,23,24).
What are the key properties of 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 380.56 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 19904721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).