[3-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane

C29H46OSi — CID 18622635

IUPAC[3-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane
SMILESCCC(CCO[Si](CC)(CC)CC)(C1=CC=CC1)C1C2C=CC=CC2C2CCCCC21
InChIInChI=1S/C29H46OSi/c1-5-29(23-15-9-10-16-23,21-22-30-31(6-2,7-3)8-4)28-26-19-13-11-17-24(26)25-18-12-14-20-27(25)28/h9-11,13,15,17,19,24-28H,5-8,12,14,16,18,20-22H2,1-4H3
InChIKeyIXVJVRCBPBENES-UHFFFAOYSA-N
MW438.77 g/mol
LogP8.48
Rot. Bonds10

About [3-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane

[3-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane (PubChem CID 18622635) has the molecular formula C29H46OSi and a molecular weight of 438.77 g/mol. Its IUPAC name is [3-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane.

Molecular Properties

Compound Name[3-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane
PubChem CID18622635
Molecular FormulaC29H46OSi
Molecular Weight438.77 g/mol
Exact Mass438.33
IUPAC Name[3-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane
SMILESCCC(CCO[Si](CC)(CC)CC)(C1=CC=CC1)C1C2C=CC=CC2C2CCCCC21
InChIInChI=1S/C29H46OSi/c1-5-29(23-15-9-10-16-23,21-22-30-31(6-2,7-3)8-4)28-26-19-13-11-17-24(26)25-18-12-14-20-27(25)28/h9-11,13,15,17,19,24-28H,5-8,12,14,16,18,20-22H2,1-4H3
InChIKeyIXVJVRCBPBENES-UHFFFAOYSA-N
XLogP8.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.77
LogP ≤ 58.48
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

Ergosterol TMS
CID 91750927
[(3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 11103093
Ergostatetraenol, trimethylsilyl
CID 20831029
Silane, (ergosta-5,7,22-trien-3beta-yloxy)trimethyl-
CID 91694856
Cholecalciferol, TMS derivative
CID 91743554
Cholecalciferol, tert-butyldimethylsilyl ether
CID 91743555
[(1Z,3aR,4S,7aS)-7a-methyl-1-(5-methylhexylidene)-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-triethylsilane
CID 70928447
(1R,3aS,4E,7aR)-4-((2E)-2-((5S)-5-(((1,1-Dimethylethyl)dimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)octahydro-7a-methyl-1-((1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl)-1H-indene
CID 11081797
[(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane
CID 11097819
tert-butyl-[[(1R,7S,10R)-1,10-dimethyl-10-tricyclo[5.2.1.02,6]deca-2,5-dienyl]methoxy]-dimethylsilane
CID 14529462
Methylsilyloxypregna-3,5-diene
CID 129661505
tert-butyl-[[(3S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane
CID 134979831

Frequently Asked Questions

What is the IUPAC name of [3-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane?
The IUPAC name of [3-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane (CID 18622635) is [3-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane.
What is the SMILES notation for [3-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane?
The canonical SMILES for [3-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane is CCC(CCO[Si](CC)(CC)CC)(C1=CC=CC1)C1C2C=CC=CC2C2CCCCC21.
What is the InChIKey of [3-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane?
The InChIKey is IXVJVRCBPBENES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46OSi/c1-5-29(23-15-9-10-16-23,21-22-30-31(6-2,7-3)8-4)28-26-19-13-11-17-24(26)25-18-12-14-20-27(25)28/h9-11,13,15,17,19,24-28H,5-8,12,14,16,18,20-22H2,1-4H3.
What are the key properties of [3-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane?
[3-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane has a molecular weight of 438.77 g/mol, XLogP of 8.48, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane is sourced from PubChem (CID 18622635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).