[(3R)-4-ethyl-3-(1H-indol-3-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane

C25H39NOSi — CID 100961896

IUPAC[(3R)-4-ethyl-3-(1H-indol-3-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane
SMILESCCC1CCC(O[Si](C(C)C)(C(C)C)C(C)C)=C[C@@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C25H39NOSi/c1-8-20-13-14-21(27-28(17(2)3,18(4)5)19(6)7)15-23(20)24-16-26-25-12-10-9-11-22(24)25/h9-12,15-20,23,26H,8,13-14H2,1-7H3/t20?,23-/m0/s1
InChIKeyFGYPFXNJXMMOCZ-AKRCKQFNSA-N
MW397.68 g/mol
LogP8.15
Rot. Bonds7

About [(3R)-4-ethyl-3-(1H-indol-3-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane

[(3R)-4-ethyl-3-(1H-indol-3-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 100961896) has the molecular formula C25H39NOSi and a molecular weight of 397.68 g/mol. Its IUPAC name is [(3R)-4-ethyl-3-(1H-indol-3-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3R)-4-ethyl-3-(1H-indol-3-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID100961896
Molecular FormulaC25H39NOSi
Molecular Weight397.68 g/mol
Exact Mass397.28
IUPAC Name[(3R)-4-ethyl-3-(1H-indol-3-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane
SMILESCCC1CCC(O[Si](C(C)C)(C(C)C)C(C)C)=C[C@@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C25H39NOSi/c1-8-20-13-14-21(27-28(17(2)3,18(4)5)19(6)7)15-23(20)24-16-26-25-12-10-9-11-22(24)25/h9-12,15-20,23,26H,8,13-14H2,1-7H3/t20?,23-/m0/s1
InChIKeyFGYPFXNJXMMOCZ-AKRCKQFNSA-N
XLogP8.15
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.68
LogP ≤ 58.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-4-ethyl-3-(1H-indol-3-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3R)-4-ethyl-3-(1H-indol-3-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane (CID 100961896) is [(3R)-4-ethyl-3-(1H-indol-3-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3R)-4-ethyl-3-(1H-indol-3-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3R)-4-ethyl-3-(1H-indol-3-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane is CCC1CCC(O[Si](C(C)C)(C(C)C)C(C)C)=C[C@@H]1c1c[nH]c2ccccc12.
What is the InChIKey of [(3R)-4-ethyl-3-(1H-indol-3-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is FGYPFXNJXMMOCZ-AKRCKQFNSA-N. The full InChI is InChI=1S/C25H39NOSi/c1-8-20-13-14-21(27-28(17(2)3,18(4)5)19(6)7)15-23(20)24-16-26-25-12-10-9-11-22(24)25/h9-12,15-20,23,26H,8,13-14H2,1-7H3/t20?,23-/m0/s1.
What are the key properties of [(3R)-4-ethyl-3-(1H-indol-3-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane?
[(3R)-4-ethyl-3-(1H-indol-3-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 397.68 g/mol, XLogP of 8.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-ethyl-3-(1H-indol-3-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 100961896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).