[3-(cyclohexen-1-yl)-6-nitroindol-1-yl]-tri(propan-2-yl)silane

C23H34N2O2Si — CID 58472203

IUPAC[3-(cyclohexen-1-yl)-6-nitroindol-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C2=CCCCC2)c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C23H34N2O2Si/c1-16(2)28(17(3)4,18(5)6)24-15-22(19-10-8-7-9-11-19)21-13-12-20(25(26)27)14-23(21)24/h10,12-18H,7-9,11H2,1-6H3
InChIKeyKNBIKULPHKWSQD-UHFFFAOYSA-N
MW398.62 g/mol
LogP7.53
Rot. Bonds6

About [3-(cyclohexen-1-yl)-6-nitroindol-1-yl]-tri(propan-2-yl)silane

[3-(cyclohexen-1-yl)-6-nitroindol-1-yl]-tri(propan-2-yl)silane (PubChem CID 58472203) has the molecular formula C23H34N2O2Si and a molecular weight of 398.62 g/mol. Its IUPAC name is [3-(cyclohexen-1-yl)-6-nitroindol-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-(cyclohexen-1-yl)-6-nitroindol-1-yl]-tri(propan-2-yl)silane
PubChem CID58472203
Molecular FormulaC23H34N2O2Si
Molecular Weight398.62 g/mol
Exact Mass398.24
IUPAC Name[3-(cyclohexen-1-yl)-6-nitroindol-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C2=CCCCC2)c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C23H34N2O2Si/c1-16(2)28(17(3)4,18(5)6)24-15-22(19-10-8-7-9-11-19)21-13-12-20(25(26)27)14-23(21)24/h10,12-18H,7-9,11H2,1-6H3
InChIKeyKNBIKULPHKWSQD-UHFFFAOYSA-N
XLogP7.53
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.62
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexen-1-yl)-6-nitroindol-1-yl]-tri(propan-2-yl)silane?
The IUPAC name of [3-(cyclohexen-1-yl)-6-nitroindol-1-yl]-tri(propan-2-yl)silane (CID 58472203) is [3-(cyclohexen-1-yl)-6-nitroindol-1-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-(cyclohexen-1-yl)-6-nitroindol-1-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [3-(cyclohexen-1-yl)-6-nitroindol-1-yl]-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1cc(C2=CCCCC2)c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of [3-(cyclohexen-1-yl)-6-nitroindol-1-yl]-tri(propan-2-yl)silane?
The InChIKey is KNBIKULPHKWSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2Si/c1-16(2)28(17(3)4,18(5)6)24-15-22(19-10-8-7-9-11-19)21-13-12-20(25(26)27)14-23(21)24/h10,12-18H,7-9,11H2,1-6H3.
What are the key properties of [3-(cyclohexen-1-yl)-6-nitroindol-1-yl]-tri(propan-2-yl)silane?
[3-(cyclohexen-1-yl)-6-nitroindol-1-yl]-tri(propan-2-yl)silane has a molecular weight of 398.62 g/mol, XLogP of 7.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexen-1-yl)-6-nitroindol-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 58472203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).