[4,4-bis(prop-2-enyl)cyclohexa-2,5-dien-1-ylidene]methyl-trimethylsilane

C16H24Si — CID 171781020

IUPAC[4,4-bis(prop-2-enyl)cyclohexa-2,5-dien-1-ylidene]methyl-trimethylsilane
SMILESC=CCC1(CC=C)C=CC(=C[Si](C)(C)C)C=C1
InChIInChI=1S/C16H24Si/c1-6-10-16(11-7-2)12-8-15(9-13-16)14-17(3,4)5/h6-9,12-14H,1-2,10-11H2,3-5H3
InChIKeyHODPSFUGPRQPNG-UHFFFAOYSA-N
MW244.45 g/mol
LogP5.05
Rot. Bonds5

About [4,4-bis(prop-2-enyl)cyclohexa-2,5-dien-1-ylidene]methyl-trimethylsilane

[4,4-bis(prop-2-enyl)cyclohexa-2,5-dien-1-ylidene]methyl-trimethylsilane (PubChem CID 171781020) has the molecular formula C16H24Si and a molecular weight of 244.45 g/mol. Its IUPAC name is [4,4-bis(prop-2-enyl)cyclohexa-2,5-dien-1-ylidene]methyl-trimethylsilane.

Molecular Properties

Compound Name[4,4-bis(prop-2-enyl)cyclohexa-2,5-dien-1-ylidene]methyl-trimethylsilane
PubChem CID171781020
Molecular FormulaC16H24Si
Molecular Weight244.45 g/mol
Exact Mass244.16
IUPAC Name[4,4-bis(prop-2-enyl)cyclohexa-2,5-dien-1-ylidene]methyl-trimethylsilane
SMILESC=CCC1(CC=C)C=CC(=C[Si](C)(C)C)C=C1
InChIInChI=1S/C16H24Si/c1-6-10-16(11-7-2)12-8-15(9-13-16)14-17(3,4)5/h6-9,12-14H,1-2,10-11H2,3-5H3
InChIKeyHODPSFUGPRQPNG-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.45
LogP ≤ 55.05
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 [4,4-bis(prop-2-enyl)cyclohexa-2,5-dien-1-ylidene]methyl-trimethylsilane?
The IUPAC name of [4,4-bis(prop-2-enyl)cyclohexa-2,5-dien-1-ylidene]methyl-trimethylsilane (CID 171781020) is [4,4-bis(prop-2-enyl)cyclohexa-2,5-dien-1-ylidene]methyl-trimethylsilane.
What is the SMILES notation for [4,4-bis(prop-2-enyl)cyclohexa-2,5-dien-1-ylidene]methyl-trimethylsilane?
The canonical SMILES for [4,4-bis(prop-2-enyl)cyclohexa-2,5-dien-1-ylidene]methyl-trimethylsilane is C=CCC1(CC=C)C=CC(=C[Si](C)(C)C)C=C1.
What is the InChIKey of [4,4-bis(prop-2-enyl)cyclohexa-2,5-dien-1-ylidene]methyl-trimethylsilane?
The InChIKey is HODPSFUGPRQPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Si/c1-6-10-16(11-7-2)12-8-15(9-13-16)14-17(3,4)5/h6-9,12-14H,1-2,10-11H2,3-5H3.
What are the key properties of [4,4-bis(prop-2-enyl)cyclohexa-2,5-dien-1-ylidene]methyl-trimethylsilane?
[4,4-bis(prop-2-enyl)cyclohexa-2,5-dien-1-ylidene]methyl-trimethylsilane has a molecular weight of 244.45 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-bis(prop-2-enyl)cyclohexa-2,5-dien-1-ylidene]methyl-trimethylsilane is sourced from PubChem (CID 171781020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).