4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

C25H40OSi — CID 140876104

IUPAC4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCC(C)(C)OCCCCCC[Si](C)(C)C1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C25H40OSi/c1-25(2,3)26-18-12-6-7-13-19-27(4,5)24-22-16-10-8-14-20(22)21-15-9-11-17-23(21)24/h8-11,14-17,20-24H,6-7,12-13,18-19H2,1-5H3
InChIKeyPERWWBNCRZYHEW-UHFFFAOYSA-N
MW384.68 g/mol
LogP7.17
Rot. Bonds8

About 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 140876104) has the molecular formula C25H40OSi and a molecular weight of 384.68 g/mol. Its IUPAC name is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

Compound Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
PubChem CID140876104
Molecular FormulaC25H40OSi
Molecular Weight384.68 g/mol
Exact Mass384.28
IUPAC Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCC(C)(C)OCCCCCC[Si](C)(C)C1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C25H40OSi/c1-25(2,3)26-18-12-6-7-13-19-27(4,5)24-22-16-10-8-14-20(22)21-15-9-11-17-23(21)24/h8-11,14-17,20-24H,6-7,12-13,18-19H2,1-5H3
InChIKeyPERWWBNCRZYHEW-UHFFFAOYSA-N
XLogP7.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 57.17
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 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 140876104) is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.
What is the SMILES notation for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The canonical SMILES for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is CC(C)(C)OCCCCCC[Si](C)(C)C1C2C=CC=CC2C2C=CC=CC21.
What is the InChIKey of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The InChIKey is PERWWBNCRZYHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40OSi/c1-25(2,3)26-18-12-6-7-13-19-27(4,5)24-22-16-10-8-14-20(22)21-15-9-11-17-23(21)24/h8-11,14-17,20-24H,6-7,12-13,18-19H2,1-5H3.
What are the key properties of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 384.68 g/mol, XLogP of 7.17, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 140876104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).