[4-(3-methoxyphenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane

C22H34OSi — CID 102235445

IUPAC[4-(3-methoxyphenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane
SMILESC=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)c1cccc(OC)c1
InChIInChI=1S/C22H34OSi/c1-16(2)24(17(3)4,18(5)6)14-13-19(7)20(8)21-11-10-12-22(15-21)23-9/h10-12,15-18,20H,7H2,1-6,8-9H3
InChIKeyOIQRHEHAUDVUDY-UHFFFAOYSA-N
MW342.60 g/mol
LogP6.58
Rot. Bonds6

About [4-(3-methoxyphenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane

[4-(3-methoxyphenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 102235445) has the molecular formula C22H34OSi and a molecular weight of 342.60 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane
PubChem CID102235445
Molecular FormulaC22H34OSi
Molecular Weight342.60 g/mol
Exact Mass342.24
IUPAC Name[4-(3-methoxyphenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane
SMILESC=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)c1cccc(OC)c1
InChIInChI=1S/C22H34OSi/c1-16(2)24(17(3)4,18(5)6)14-13-19(7)20(8)21-11-10-12-22(15-21)23-9/h10-12,15-18,20H,7H2,1-6,8-9H3
InChIKeyOIQRHEHAUDVUDY-UHFFFAOYSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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[(1R)-1-(3-methoxyphenyl)ethyl]-trimethylsilane
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1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol
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2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
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1-(3-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-ol
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2-(3-methoxyphenyl)propane-1-thiol
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1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
(1R,2S)-1-(3-methoxyphenyl)-2-methylbut-3-en-1-ol
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1-(3-methoxyphenyl)-1-(methylamino)propan-2-ol
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CID 83047977

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [4-(3-methoxyphenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane (CID 102235445) is [4-(3-methoxyphenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [4-(3-methoxyphenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [4-(3-methoxyphenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane is C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)c1cccc(OC)c1.
What is the InChIKey of [4-(3-methoxyphenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is OIQRHEHAUDVUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34OSi/c1-16(2)24(17(3)4,18(5)6)14-13-19(7)20(8)21-11-10-12-22(15-21)23-9/h10-12,15-18,20H,7H2,1-6,8-9H3.
What are the key properties of [4-(3-methoxyphenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane?
[4-(3-methoxyphenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 342.60 g/mol, XLogP of 6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 102235445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).