[3-(1H-indol-3-yl)cyclohepten-1-yl]oxy-tri(propan-2-yl)silane

C24H37NOSi — CID 100961891

IUPAC[3-(1H-indol-3-yl)cyclohepten-1-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=CC(c2c[nH]c3ccccc23)CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C24H37NOSi/c1-17(2)27(18(3)4,19(5)6)26-21-12-8-7-11-20(15-21)23-16-25-24-14-10-9-13-22(23)24/h9-10,13-20,25H,7-8,11-12H2,1-6H3
InChIKeyQCIPHUVXRIQIIP-UHFFFAOYSA-N
MW383.65 g/mol
LogP7.90
Rot. Bonds6

About [3-(1H-indol-3-yl)cyclohepten-1-yl]oxy-tri(propan-2-yl)silane

[3-(1H-indol-3-yl)cyclohepten-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 100961891) has the molecular formula C24H37NOSi and a molecular weight of 383.65 g/mol. Its IUPAC name is [3-(1H-indol-3-yl)cyclohepten-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-(1H-indol-3-yl)cyclohepten-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID100961891
Molecular FormulaC24H37NOSi
Molecular Weight383.65 g/mol
Exact Mass383.26
IUPAC Name[3-(1H-indol-3-yl)cyclohepten-1-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=CC(c2c[nH]c3ccccc23)CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C24H37NOSi/c1-17(2)27(18(3)4,19(5)6)26-21-12-8-7-11-20(15-21)23-16-25-24-14-10-9-13-22(23)24/h9-10,13-20,25H,7-8,11-12H2,1-6H3
InChIKeyQCIPHUVXRIQIIP-UHFFFAOYSA-N
XLogP7.90
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.65
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-4-ethyl-3-(1H-indol-3-yl)cyclohexen-1-yl]oxy-tri(propan-2-yl)silane
CID 100961896
3-[(1R,2R)-1-benzyl-1-methylpiperidin-1-ium-2-yl]-1H-indole
CID 124909726
3-(oxan-2-yl)-1H-indole
CID 174577844
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
CID 10037310
3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole
CID 144855106
(5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one
CID 10376523
(6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole
CID 155805566
methane;3-piperidin-4-yl-1H-indole
CID 70444570
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-(6-fluoropiperidin-2-yl)-1H-indole
CID 154427287

Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-3-yl)cyclohepten-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [3-(1H-indol-3-yl)cyclohepten-1-yl]oxy-tri(propan-2-yl)silane (CID 100961891) is [3-(1H-indol-3-yl)cyclohepten-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [3-(1H-indol-3-yl)cyclohepten-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [3-(1H-indol-3-yl)cyclohepten-1-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](OC1=CC(c2c[nH]c3ccccc23)CCCC1)(C(C)C)C(C)C.
What is the InChIKey of [3-(1H-indol-3-yl)cyclohepten-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is QCIPHUVXRIQIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NOSi/c1-17(2)27(18(3)4,19(5)6)26-21-12-8-7-11-20(15-21)23-16-25-24-14-10-9-13-22(23)24/h9-10,13-20,25H,7-8,11-12H2,1-6H3.
What are the key properties of [3-(1H-indol-3-yl)cyclohepten-1-yl]oxy-tri(propan-2-yl)silane?
[3-(1H-indol-3-yl)cyclohepten-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 383.65 g/mol, XLogP of 7.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indol-3-yl)cyclohepten-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 100961891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).