6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane

C22H34Si — CID 175036788

IUPAC6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane
SMILESC=C(CCCC#C[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C22H34Si/c1-18(2)23(19(3)4,20(5)6)17-13-9-10-14-21(7)22-15-11-8-12-16-22/h8,11-12,15-16,18-20H,7,9-10,14H2,1-6H3
InChIKeyKMCOBUQDYZCSAI-UHFFFAOYSA-N
MW326.60 g/mol
LogP7.09
Rot. Bonds7

About 6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane

6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane (PubChem CID 175036788) has the molecular formula C22H34Si and a molecular weight of 326.60 g/mol. Its IUPAC name is 6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane
PubChem CID175036788
Molecular FormulaC22H34Si
Molecular Weight326.60 g/mol
Exact Mass326.24
IUPAC Name6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane
SMILESC=C(CCCC#C[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C22H34Si/c1-18(2)23(19(3)4,20(5)6)17-13-9-10-14-21(7)22-15-11-8-12-16-22/h8,11-12,15-16,18-20H,7,9-10,14H2,1-6H3
InChIKeyKMCOBUQDYZCSAI-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 57.09
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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Related Compounds

6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane
CID 102126076
[(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 100967832
18-methylnonadec-1-en-2-ylbenzene;12-methyltridec-1-en-2-ylbenzene
CID 173456642
[(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane
CID 102473895
CID 101454794
CID 101454794
[(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane
CID 154631759
1-methyl-4-(8-phenyloct-1-en-7-yn-2-yl)benzene
CID 166448261
7,7-dimethyloct-1-en-5-yn-2-ylbenzene
CID 10680066
pent-1-en-2-ylbenzene
CID 521761
5-methylhept-1-en-2-ylbenzene
CID 90870775
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
(E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol
CID 164687145

Frequently Asked Questions

What is the IUPAC name of 6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane (CID 175036788) is 6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane is C=C(CCCC#C[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1.
What is the InChIKey of 6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is KMCOBUQDYZCSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34Si/c1-18(2)23(19(3)4,20(5)6)17-13-9-10-14-21(7)22-15-11-8-12-16-22/h8,11-12,15-16,18-20H,7,9-10,14H2,1-6H3.
What are the key properties of 6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane?
6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 326.60 g/mol, XLogP of 7.09, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 175036788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).