(2-cyclopenta-1,3-dien-1-yl-1-methyl-1-propyl-6H-indeno[1,2-b]siliren-3-yl)oxy-trimethylsilane

C21H28OSi2 — CID 87936257

IUPAC(2-cyclopenta-1,3-dien-1-yl-1-methyl-1-propyl-6H-indeno[1,2-b]siliren-3-yl)oxy-trimethylsilane
SMILESCCC[Si]1(C)C2=C1c1c(ccc(O[Si](C)(C)C)c1C1=CC=CC1)C2
InChIInChI=1S/C21H28OSi2/c1-6-13-24(5)18-14-16-11-12-17(22-23(2,3)4)19(20(16)21(18)24)15-9-7-8-10-15/h7-9,11-12H,6,10,13-14H2,1-5H3
InChIKeyABDLGEZSYRASKM-UHFFFAOYSA-N
MW352.63 g/mol
LogP6.13
Rot. Bonds5

About (2-cyclopenta-1,3-dien-1-yl-1-methyl-1-propyl-6H-indeno[1,2-b]siliren-3-yl)oxy-trimethylsilane

(2-cyclopenta-1,3-dien-1-yl-1-methyl-1-propyl-6H-indeno[1,2-b]siliren-3-yl)oxy-trimethylsilane (PubChem CID 87936257) has the molecular formula C21H28OSi2 and a molecular weight of 352.63 g/mol. Its IUPAC name is (2-cyclopenta-1,3-dien-1-yl-1-methyl-1-propyl-6H-indeno[1,2-b]siliren-3-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(2-cyclopenta-1,3-dien-1-yl-1-methyl-1-propyl-6H-indeno[1,2-b]siliren-3-yl)oxy-trimethylsilane
PubChem CID87936257
Molecular FormulaC21H28OSi2
Molecular Weight352.63 g/mol
Exact Mass352.17
IUPAC Name(2-cyclopenta-1,3-dien-1-yl-1-methyl-1-propyl-6H-indeno[1,2-b]siliren-3-yl)oxy-trimethylsilane
SMILESCCC[Si]1(C)C2=C1c1c(ccc(O[Si](C)(C)C)c1C1=CC=CC1)C2
InChIInChI=1S/C21H28OSi2/c1-6-13-24(5)18-14-16-11-12-17(22-23(2,3)4)19(20(16)21(18)24)15-9-7-8-10-15/h7-9,11-12H,6,10,13-14H2,1-5H3
InChIKeyABDLGEZSYRASKM-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.63
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,4-Di-t-butylphenoxy)-trimethylsilane
CID 54052462
2,3-Dimethylphenol, TMS derivative
CID 14647898
2,3-Dimethylphenol, tert-butyldimethylsilyl ether
CID 58530192
tert-butyl-(1H-inden-5-yloxy)-dimethylsilane
CID 20607312
Tert-butyl(3,4-dimethylphenoxy)dimethylsilane
CID 59029997
(S)-3-(4-tert-butyldimethylsilyloxyphenyl)cyclohexene
CID 91871130
3,5-Dimethyl-4-(4'-fluoro-3'-iso-propylbenzyl)triisopropylsilanoxybenzene
CID 66643085
Tert-butyl-(2-cyclopropyl-3-trifluoromethyl-phenoxy)-dimethyl-silane
CID 67111174
tert-butyl-[4-(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]-dimethylsilane
CID 123555800
(3-fluoro-3H-inden-4-yl)oxy-tri(propan-2-yl)silane
CID 173235315
(1-fluoro-1H-inden-5-yl)oxy-hexyl-nonyl-propan-2-ylsilane
CID 173235446
(3-fluoro-3H-inden-5-yl)oxy-tri(propan-2-yl)silane
CID 173235460

Frequently Asked Questions

What is the IUPAC name of (2-cyclopenta-1,3-dien-1-yl-1-methyl-1-propyl-6H-indeno[1,2-b]siliren-3-yl)oxy-trimethylsilane?
The IUPAC name of (2-cyclopenta-1,3-dien-1-yl-1-methyl-1-propyl-6H-indeno[1,2-b]siliren-3-yl)oxy-trimethylsilane (CID 87936257) is (2-cyclopenta-1,3-dien-1-yl-1-methyl-1-propyl-6H-indeno[1,2-b]siliren-3-yl)oxy-trimethylsilane.
What is the SMILES notation for (2-cyclopenta-1,3-dien-1-yl-1-methyl-1-propyl-6H-indeno[1,2-b]siliren-3-yl)oxy-trimethylsilane?
The canonical SMILES for (2-cyclopenta-1,3-dien-1-yl-1-methyl-1-propyl-6H-indeno[1,2-b]siliren-3-yl)oxy-trimethylsilane is CCC[Si]1(C)C2=C1c1c(ccc(O[Si](C)(C)C)c1C1=CC=CC1)C2.
What is the InChIKey of (2-cyclopenta-1,3-dien-1-yl-1-methyl-1-propyl-6H-indeno[1,2-b]siliren-3-yl)oxy-trimethylsilane?
The InChIKey is ABDLGEZSYRASKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28OSi2/c1-6-13-24(5)18-14-16-11-12-17(22-23(2,3)4)19(20(16)21(18)24)15-9-7-8-10-15/h7-9,11-12H,6,10,13-14H2,1-5H3.
What are the key properties of (2-cyclopenta-1,3-dien-1-yl-1-methyl-1-propyl-6H-indeno[1,2-b]siliren-3-yl)oxy-trimethylsilane?
(2-cyclopenta-1,3-dien-1-yl-1-methyl-1-propyl-6H-indeno[1,2-b]siliren-3-yl)oxy-trimethylsilane has a molecular weight of 352.63 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopenta-1,3-dien-1-yl-1-methyl-1-propyl-6H-indeno[1,2-b]siliren-3-yl)oxy-trimethylsilane is sourced from PubChem (CID 87936257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).