trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane

C17H22Si — CID 164679289

IUPACtrimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane
SMILESC=CCC1C=C/C(=C\[Si](C)(C)C)c2ccccc21
InChIInChI=1S/C17H22Si/c1-5-8-14-11-12-15(13-18(2,3)4)17-10-7-6-9-16(14)17/h5-7,9-14H,1,8H2,2-4H3/b15-13+
InChIKeyNFOXEBBIHYGTCT-FYWRMAATSA-N
MW254.45 g/mol
LogP5.18
Rot. Bonds3

About trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane

trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane (PubChem CID 164679289) has the molecular formula C17H22Si and a molecular weight of 254.45 g/mol. Its IUPAC name is trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane
PubChem CID164679289
Molecular FormulaC17H22Si
Molecular Weight254.45 g/mol
Exact Mass254.15
IUPAC Nametrimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane
SMILESC=CCC1C=C/C(=C\[Si](C)(C)C)c2ccccc21
InChIInChI=1S/C17H22Si/c1-5-8-14-11-12-15(13-18(2,3)4)17-10-7-6-9-16(14)17/h5-7,9-14H,1,8H2,2-4H3/b15-13+
InChIKeyNFOXEBBIHYGTCT-FYWRMAATSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.45
LogP ≤ 55.18
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 trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane?
The IUPAC name of trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane (CID 164679289) is trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane.
What is the SMILES notation for trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane?
The canonical SMILES for trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane is C=CCC1C=C/C(=C\[Si](C)(C)C)c2ccccc21.
What is the InChIKey of trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane?
The InChIKey is NFOXEBBIHYGTCT-FYWRMAATSA-N. The full InChI is InChI=1S/C17H22Si/c1-5-8-14-11-12-15(13-18(2,3)4)17-10-7-6-9-16(14)17/h5-7,9-14H,1,8H2,2-4H3/b15-13+.
What are the key properties of trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane?
trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane has a molecular weight of 254.45 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane is sourced from PubChem (CID 164679289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).