[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl] acetate

C22H30O2Si — CID 138966446

IUPAC[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl] acetate
SMILESCC(=O)OC1=C(C#C[Si](C(C)C)(C(C)C)C(C)C)Cc2ccccc21
InChIInChI=1S/C22H30O2Si/c1-15(2)25(16(3)4,17(5)6)13-12-20-14-19-10-8-9-11-21(19)22(20)24-18(7)23/h8-11,15-17H,14H2,1-7H3
InChIKeyKDOWQUBKHADYJE-UHFFFAOYSA-N
MW354.57 g/mol
LogP5.74
Rot. Bonds4

About [2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl] acetate

[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl] acetate (PubChem CID 138966446) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is [2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl] acetate.

Molecular Properties

Compound Name[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl] acetate
PubChem CID138966446
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl] acetate
SMILESCC(=O)OC1=C(C#C[Si](C(C)C)(C(C)C)C(C)C)Cc2ccccc21
InChIInChI=1S/C22H30O2Si/c1-15(2)25(16(3)4,17(5)6)13-12-20-14-19-10-8-9-11-21(19)22(20)24-18(7)23/h8-11,15-17H,14H2,1-7H3
InChIKeyKDOWQUBKHADYJE-UHFFFAOYSA-N
XLogP5.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.57
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl]acetamide
CID 138966322
[2-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl] acetate
CID 171692295
(3-methyl-1H-inden-2-yl) acetate
CID 101441379
9H-fluorene;methyl acetate
CID 143080534
2-[4-[2-(3,4-dihydronaphthalen-1-yl)ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
CID 11452616
9H-fluoren-1-yl acetate;propane-1,2-diol
CID 159192832
acetic acid;azane;9H-fluorene
CID 174966259
[3-methoxy-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl] acetate
CID 163223020
[2,6-bis(2-propan-2-ylphenyl)phenyl] acetate
CID 101088092
2-phenoxy-6-[2-tri(propan-2-yl)silylethynyl]benzoic acid
CID 177453222
9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid
CID 134961047
methyl 4-[2-tri(propan-2-yl)silylethynyl]benzoate
CID 162416896

Frequently Asked Questions

What is the IUPAC name of [2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl] acetate?
The IUPAC name of [2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl] acetate (CID 138966446) is [2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl] acetate.
What is the SMILES notation for [2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl] acetate?
The canonical SMILES for [2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl] acetate is CC(=O)OC1=C(C#C[Si](C(C)C)(C(C)C)C(C)C)Cc2ccccc21.
What is the InChIKey of [2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl] acetate?
The InChIKey is KDOWQUBKHADYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-15(2)25(16(3)4,17(5)6)13-12-20-14-19-10-8-9-11-21(19)22(20)24-18(7)23/h8-11,15-17H,14H2,1-7H3.
What are the key properties of [2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl] acetate?
[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl] acetate has a molecular weight of 354.57 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl] acetate is sourced from PubChem (CID 138966446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).