4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-cyclopentyl-methyl-pent-4-enylsilane

C24H34Si — CID 59637861

IUPAC4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-cyclopentyl-methyl-pent-4-enylsilane
SMILESC=CCCC[Si](C)(C1CCCC1)C1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C24H34Si/c1-3-4-11-18-25(2,19-12-5-6-13-19)24-22-16-9-7-14-20(22)21-15-8-10-17-23(21)24/h3,7-10,14-17,19-24H,1,4-6,11-13,18H2,2H3
InChIKeyNQKBXQBTIKBOLZ-UHFFFAOYSA-N
MW350.62 g/mol
LogP7.08
Rot. Bonds6

About 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-cyclopentyl-methyl-pent-4-enylsilane

4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-cyclopentyl-methyl-pent-4-enylsilane (PubChem CID 59637861) has the molecular formula C24H34Si and a molecular weight of 350.62 g/mol. Its IUPAC name is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-cyclopentyl-methyl-pent-4-enylsilane.

Molecular Properties

Compound Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-cyclopentyl-methyl-pent-4-enylsilane
PubChem CID59637861
Molecular FormulaC24H34Si
Molecular Weight350.62 g/mol
Exact Mass350.24
IUPAC Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-cyclopentyl-methyl-pent-4-enylsilane
SMILESC=CCCC[Si](C)(C1CCCC1)C1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C24H34Si/c1-3-4-11-18-25(2,19-12-5-6-13-19)24-22-16-9-7-14-20(22)21-15-8-10-17-23(21)24/h3,7-10,14-17,19-24H,1,4-6,11-13,18H2,2H3
InChIKeyNQKBXQBTIKBOLZ-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-cyclopentyl-methyl-pent-4-enylsilane?
The IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-cyclopentyl-methyl-pent-4-enylsilane (CID 59637861) is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-cyclopentyl-methyl-pent-4-enylsilane.
What is the SMILES notation for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-cyclopentyl-methyl-pent-4-enylsilane?
The canonical SMILES for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-cyclopentyl-methyl-pent-4-enylsilane is C=CCCC[Si](C)(C1CCCC1)C1C2C=CC=CC2C2C=CC=CC21.
What is the InChIKey of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-cyclopentyl-methyl-pent-4-enylsilane?
The InChIKey is NQKBXQBTIKBOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34Si/c1-3-4-11-18-25(2,19-12-5-6-13-19)24-22-16-9-7-14-20(22)21-15-8-10-17-23(21)24/h3,7-10,14-17,19-24H,1,4-6,11-13,18H2,2H3.
What are the key properties of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-cyclopentyl-methyl-pent-4-enylsilane?
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-cyclopentyl-methyl-pent-4-enylsilane has a molecular weight of 350.62 g/mol, XLogP of 7.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-cyclopentyl-methyl-pent-4-enylsilane is sourced from PubChem (CID 59637861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).