2-[4-(1,1-dimethyl-6H-indeno[1,2-b]siliren-2-yl)cyclopenta-1,4-dien-1-yl]oxyethanol

C18H20O2Si — CID 87993708

IUPAC2-[4-(1,1-dimethyl-6H-indeno[1,2-b]siliren-2-yl)cyclopenta-1,4-dien-1-yl]oxyethanol
SMILESC[Si]1(C)C2=C1c1c(cccc1C1=CC(OCCO)=CC1)C2
InChIInChI=1S/C18H20O2Si/c1-21(2)16-11-13-4-3-5-15(17(13)18(16)21)12-6-7-14(10-12)20-9-8-19/h3-5,7,10,19H,6,8-9,11H2,1-2H3
InChIKeyHKSWTSYLSHIQRS-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.48
Rot. Bonds4

About 2-[4-(1,1-dimethyl-6H-indeno[1,2-b]siliren-2-yl)cyclopenta-1,4-dien-1-yl]oxyethanol

2-[4-(1,1-dimethyl-6H-indeno[1,2-b]siliren-2-yl)cyclopenta-1,4-dien-1-yl]oxyethanol (PubChem CID 87993708) has the molecular formula C18H20O2Si and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[4-(1,1-dimethyl-6H-indeno[1,2-b]siliren-2-yl)cyclopenta-1,4-dien-1-yl]oxyethanol.

Molecular Properties

Compound Name2-[4-(1,1-dimethyl-6H-indeno[1,2-b]siliren-2-yl)cyclopenta-1,4-dien-1-yl]oxyethanol
PubChem CID87993708
Molecular FormulaC18H20O2Si
Molecular Weight296.44 g/mol
Exact Mass296.12
IUPAC Name2-[4-(1,1-dimethyl-6H-indeno[1,2-b]siliren-2-yl)cyclopenta-1,4-dien-1-yl]oxyethanol
SMILESC[Si]1(C)C2=C1c1c(cccc1C1=CC(OCCO)=CC1)C2
InChIInChI=1S/C18H20O2Si/c1-21(2)16-11-13-4-3-5-15(17(13)18(16)21)12-6-7-14(10-12)20-9-8-19/h3-5,7,10,19H,6,8-9,11H2,1-2H3
InChIKeyHKSWTSYLSHIQRS-UHFFFAOYSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-ethylideneinden-2-yl)cyclopenta-1,4-dien-1-yl]oxyethanol
CID 87993799
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CID 172739883
2-[2-(9H-fluoren-4-yl)-6-methylphenoxy]ethanol
CID 151946123
2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol
CID 66730243
2-[2,6-di(butan-2-yl)-4-(9H-fluoren-1-yl)phenoxy]ethanol
CID 67661007
2-[4-(9H-fluoren-1-yl)-2,6-diphenylphenoxy]ethanol
CID 67660456
2-[(7-ethyl-5,6-dihydronaphthalen-1-yl)oxy]ethanol
CID 58241918
1-propoxy-10H-anthracen-9-one
CID 70009381
2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]ethanol
CID 43197064
2-[6-(4,5-dinaphthalen-1-yl-9H-fluoren-1-yl)naphthalen-2-yl]oxyethanol
CID 151348854
1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione
CID 90269328
4-[2-(trifluoromethyl)phenyl]-1,5-dihydroacenaphthylene
CID 170335427

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-dimethyl-6H-indeno[1,2-b]siliren-2-yl)cyclopenta-1,4-dien-1-yl]oxyethanol?
The IUPAC name of 2-[4-(1,1-dimethyl-6H-indeno[1,2-b]siliren-2-yl)cyclopenta-1,4-dien-1-yl]oxyethanol (CID 87993708) is 2-[4-(1,1-dimethyl-6H-indeno[1,2-b]siliren-2-yl)cyclopenta-1,4-dien-1-yl]oxyethanol.
What is the SMILES notation for 2-[4-(1,1-dimethyl-6H-indeno[1,2-b]siliren-2-yl)cyclopenta-1,4-dien-1-yl]oxyethanol?
The canonical SMILES for 2-[4-(1,1-dimethyl-6H-indeno[1,2-b]siliren-2-yl)cyclopenta-1,4-dien-1-yl]oxyethanol is C[Si]1(C)C2=C1c1c(cccc1C1=CC(OCCO)=CC1)C2.
What is the InChIKey of 2-[4-(1,1-dimethyl-6H-indeno[1,2-b]siliren-2-yl)cyclopenta-1,4-dien-1-yl]oxyethanol?
The InChIKey is HKSWTSYLSHIQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2Si/c1-21(2)16-11-13-4-3-5-15(17(13)18(16)21)12-6-7-14(10-12)20-9-8-19/h3-5,7,10,19H,6,8-9,11H2,1-2H3.
What are the key properties of 2-[4-(1,1-dimethyl-6H-indeno[1,2-b]siliren-2-yl)cyclopenta-1,4-dien-1-yl]oxyethanol?
2-[4-(1,1-dimethyl-6H-indeno[1,2-b]siliren-2-yl)cyclopenta-1,4-dien-1-yl]oxyethanol has a molecular weight of 296.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-dimethyl-6H-indeno[1,2-b]siliren-2-yl)cyclopenta-1,4-dien-1-yl]oxyethanol is sourced from PubChem (CID 87993708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).