hexadeca-6,7-dien-1-ynyl(trimethyl)silane

C19H34Si — CID 11109061

IUPAChexadeca-6,7-dien-1-ynyl(trimethyl)silane
SMILESCCCCCCCCC=C=CCCCC#C[Si](C)(C)C
InChIInChI=1S/C19H34Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h12,14H,5-11,15-17H2,1-4H3
InChIKeyAFFUTICSWXJPAN-UHFFFAOYSA-N
MW290.57 g/mol
LogP6.50
Rot. Bonds10

About hexadeca-6,7-dien-1-ynyl(trimethyl)silane

hexadeca-6,7-dien-1-ynyl(trimethyl)silane (PubChem CID 11109061) has the molecular formula C19H34Si and a molecular weight of 290.57 g/mol. Its IUPAC name is hexadeca-6,7-dien-1-ynyl(trimethyl)silane.

Molecular Properties

Compound Namehexadeca-6,7-dien-1-ynyl(trimethyl)silane
PubChem CID11109061
Molecular FormulaC19H34Si
Molecular Weight290.57 g/mol
Exact Mass290.24
IUPAC Namehexadeca-6,7-dien-1-ynyl(trimethyl)silane
SMILESCCCCCCCCC=C=CCCCC#C[Si](C)(C)C
InChIInChI=1S/C19H34Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h12,14H,5-11,15-17H2,1-4H3
InChIKeyAFFUTICSWXJPAN-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.57
LogP ≤ 56.50
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexadeca-6,7-dien-1-ynyl(trimethyl)silane?
The IUPAC name of hexadeca-6,7-dien-1-ynyl(trimethyl)silane (CID 11109061) is hexadeca-6,7-dien-1-ynyl(trimethyl)silane.
What is the SMILES notation for hexadeca-6,7-dien-1-ynyl(trimethyl)silane?
The canonical SMILES for hexadeca-6,7-dien-1-ynyl(trimethyl)silane is CCCCCCCCC=C=CCCCC#C[Si](C)(C)C.
What is the InChIKey of hexadeca-6,7-dien-1-ynyl(trimethyl)silane?
The InChIKey is AFFUTICSWXJPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h12,14H,5-11,15-17H2,1-4H3.
What are the key properties of hexadeca-6,7-dien-1-ynyl(trimethyl)silane?
hexadeca-6,7-dien-1-ynyl(trimethyl)silane has a molecular weight of 290.57 g/mol, XLogP of 6.50, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadeca-6,7-dien-1-ynyl(trimethyl)silane is sourced from PubChem (CID 11109061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).