[9,9-bis(2-methylbutyl)-7-prop-2-enylfluoren-2-yl]-trimethylsilane

C29H42Si — CID 69386897

IUPAC[9,9-bis(2-methylbutyl)-7-prop-2-enylfluoren-2-yl]-trimethylsilane
SMILESC=CCc1ccc2c(c1)C(CC(C)CC)(CC(C)CC)c1cc([Si](C)(C)C)ccc1-2
InChIInChI=1S/C29H42Si/c1-9-12-23-13-15-25-26-16-14-24(30(6,7)8)18-28(26)29(27(25)17-23,19-21(4)10-2)20-22(5)11-3/h9,13-18,21-22H,1,10-12,19-20H2,2-8H3
InChIKeyMZZWLVYBBHZBDM-UHFFFAOYSA-N
MW418.74 g/mol
LogP8.10
Rot. Bonds9

About [9,9-bis(2-methylbutyl)-7-prop-2-enylfluoren-2-yl]-trimethylsilane

[9,9-bis(2-methylbutyl)-7-prop-2-enylfluoren-2-yl]-trimethylsilane (PubChem CID 69386897) has the molecular formula C29H42Si and a molecular weight of 418.74 g/mol. Its IUPAC name is [9,9-bis(2-methylbutyl)-7-prop-2-enylfluoren-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[9,9-bis(2-methylbutyl)-7-prop-2-enylfluoren-2-yl]-trimethylsilane
PubChem CID69386897
Molecular FormulaC29H42Si
Molecular Weight418.74 g/mol
Exact Mass418.31
IUPAC Name[9,9-bis(2-methylbutyl)-7-prop-2-enylfluoren-2-yl]-trimethylsilane
SMILESC=CCc1ccc2c(c1)C(CC(C)CC)(CC(C)CC)c1cc([Si](C)(C)C)ccc1-2
InChIInChI=1S/C29H42Si/c1-9-12-23-13-15-25-26-16-14-24(30(6,7)8)18-28(26)29(27(25)17-23,19-21(4)10-2)20-22(5)11-3/h9,13-18,21-22H,1,10-12,19-20H2,2-8H3
InChIKeyMZZWLVYBBHZBDM-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.74
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 [9,9-bis(2-methylbutyl)-7-prop-2-enylfluoren-2-yl]-trimethylsilane?
The IUPAC name of [9,9-bis(2-methylbutyl)-7-prop-2-enylfluoren-2-yl]-trimethylsilane (CID 69386897) is [9,9-bis(2-methylbutyl)-7-prop-2-enylfluoren-2-yl]-trimethylsilane.
What is the SMILES notation for [9,9-bis(2-methylbutyl)-7-prop-2-enylfluoren-2-yl]-trimethylsilane?
The canonical SMILES for [9,9-bis(2-methylbutyl)-7-prop-2-enylfluoren-2-yl]-trimethylsilane is C=CCc1ccc2c(c1)C(CC(C)CC)(CC(C)CC)c1cc([Si](C)(C)C)ccc1-2.
What is the InChIKey of [9,9-bis(2-methylbutyl)-7-prop-2-enylfluoren-2-yl]-trimethylsilane?
The InChIKey is MZZWLVYBBHZBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42Si/c1-9-12-23-13-15-25-26-16-14-24(30(6,7)8)18-28(26)29(27(25)17-23,19-21(4)10-2)20-22(5)11-3/h9,13-18,21-22H,1,10-12,19-20H2,2-8H3.
What are the key properties of [9,9-bis(2-methylbutyl)-7-prop-2-enylfluoren-2-yl]-trimethylsilane?
[9,9-bis(2-methylbutyl)-7-prop-2-enylfluoren-2-yl]-trimethylsilane has a molecular weight of 418.74 g/mol, XLogP of 8.10, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [9,9-bis(2-methylbutyl)-7-prop-2-enylfluoren-2-yl]-trimethylsilane is sourced from PubChem (CID 69386897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).