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

C26H40OSi — CID 18622832

IUPAC[4-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-trimethylsilane
SMILESCC(CCCO[Si](C)(C)C)(C1=CC=CC1)C1C2C=CC=CC2C2CCCCC21
InChIInChI=1S/C26H40OSi/c1-26(20-12-5-6-13-20,18-11-19-27-28(2,3)4)25-23-16-9-7-14-21(23)22-15-8-10-17-24(22)25/h5-7,9,12,14,16,21-25H,8,10-11,13,15,17-19H2,1-4H3
InChIKeyMGZOYBRGTQWQCC-UHFFFAOYSA-N
MW396.69 g/mol
LogP7.31
Rot. Bonds7

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

[4-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-trimethylsilane (PubChem CID 18622832) has the molecular formula C26H40OSi and a molecular weight of 396.69 g/mol. Its IUPAC name is [4-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-trimethylsilane.

Molecular Properties

Compound Name[4-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-trimethylsilane
PubChem CID18622832
Molecular FormulaC26H40OSi
Molecular Weight396.69 g/mol
Exact Mass396.28
IUPAC Name[4-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-trimethylsilane
SMILESCC(CCCO[Si](C)(C)C)(C1=CC=CC1)C1C2C=CC=CC2C2CCCCC21
InChIInChI=1S/C26H40OSi/c1-26(20-12-5-6-13-20,18-11-19-27-28(2,3)4)25-23-16-9-7-14-21(23)22-15-8-10-17-24(22)25/h5-7,9,12,14,16,21-25H,8,10-11,13,15,17-19H2,1-4H3
InChIKeyMGZOYBRGTQWQCC-UHFFFAOYSA-N
XLogP7.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.69
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-trimethylsilane?
The IUPAC name of [4-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-trimethylsilane (CID 18622832) is [4-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-trimethylsilane.
What is the SMILES notation for [4-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-trimethylsilane?
The canonical SMILES for [4-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-trimethylsilane is CC(CCCO[Si](C)(C)C)(C1=CC=CC1)C1C2C=CC=CC2C2CCCCC21.
What is the InChIKey of [4-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-trimethylsilane?
The InChIKey is MGZOYBRGTQWQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40OSi/c1-26(20-12-5-6-13-20,18-11-19-27-28(2,3)4)25-23-16-9-7-14-21(23)22-15-8-10-17-24(22)25/h5-7,9,12,14,16,21-25H,8,10-11,13,15,17-19H2,1-4H3.
What are the key properties of [4-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-trimethylsilane?
[4-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-trimethylsilane has a molecular weight of 396.69 g/mol, XLogP of 7.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-trimethylsilane is sourced from PubChem (CID 18622832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).