[(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane

C22H34Si — CID 135063552

IUPAC[(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC/C=C\CCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C22H34Si/c1-19(2)23(20(3)4,21(5)6)18-14-9-7-8-11-15-22-16-12-10-13-17-22/h7-8,10,12-13,16-17,19-21H,9,11,15H2,1-6H3/b8-7-
InChIKeyZRUWIDRDKYXMMK-FPLPWBNLSA-N
MW326.60 g/mol
LogP6.79
Rot. Bonds7

About [(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane

[(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 135063552) has the molecular formula C22H34Si and a molecular weight of 326.60 g/mol. Its IUPAC name is [(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane
PubChem CID135063552
Molecular FormulaC22H34Si
Molecular Weight326.60 g/mol
Exact Mass326.24
IUPAC Name[(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC/C=C\CCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C22H34Si/c1-19(2)23(20(3)4,21(5)6)18-14-9-7-8-11-15-22-16-12-10-13-17-22/h7-8,10,12-13,16-17,19-21H,9,11,15H2,1-6H3/b8-7-
InChIKeyZRUWIDRDKYXMMK-FPLPWBNLSA-N
XLogP6.79
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 ≤ 56.79
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-5-phenylpent-2-enyl]sulfanyl-tri(propan-2-yl)silane
CID 56641937
[(Z)-5-methylhex-3-enyl]benzene
CID 13403768
[(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane
CID 154631759
[(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane
CID 102346323
pent-3-enylbenzene
CID 519421
[(E)-5-chloropent-3-enyl]benzene
CID 101263863
(Z)-2-methyl-7-phenylhept-4-en-3-one
CID 101116591
6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane
CID 102126076
hepta-3,5-dienylbenzene
CID 54230830
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636
[(Z)-5,5-dimethoxypent-3-enyl]benzene
CID 102219154
triethyl-[(E)-5-phenylpent-2-enyl]germane
CID 10913752

Frequently Asked Questions

What is the IUPAC name of [(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane (CID 135063552) is [(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane is CC(C)[Si](C#CC/C=C\CCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is ZRUWIDRDKYXMMK-FPLPWBNLSA-N. The full InChI is InChI=1S/C22H34Si/c1-19(2)23(20(3)4,21(5)6)18-14-9-7-8-11-15-22-16-12-10-13-17-22/h7-8,10,12-13,16-17,19-21H,9,11,15H2,1-6H3/b8-7-.
What are the key properties of [(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane?
[(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 326.60 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 135063552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).