3-methoxy-2-(3-trimethylsilylprop-2-ynyl)benzaldehyde

C14H18O2Si — CID 11299596

IUPAC3-methoxy-2-(3-trimethylsilylprop-2-ynyl)benzaldehyde
SMILESCOc1cccc(C=O)c1CC#C[Si](C)(C)C
InChIInChI=1S/C14H18O2Si/c1-16-14-9-5-7-12(11-15)13(14)8-6-10-17(2,3)4/h5,7,9,11H,8H2,1-4H3
InChIKeyNRXHJCAVSGZGAS-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.93
Rot. Bonds3

About 3-methoxy-2-(3-trimethylsilylprop-2-ynyl)benzaldehyde

3-methoxy-2-(3-trimethylsilylprop-2-ynyl)benzaldehyde (PubChem CID 11299596) has the molecular formula C14H18O2Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-methoxy-2-(3-trimethylsilylprop-2-ynyl)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-2-(3-trimethylsilylprop-2-ynyl)benzaldehyde
PubChem CID11299596
Molecular FormulaC14H18O2Si
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name3-methoxy-2-(3-trimethylsilylprop-2-ynyl)benzaldehyde
SMILESCOc1cccc(C=O)c1CC#C[Si](C)(C)C
InChIInChI=1S/C14H18O2Si/c1-16-14-9-5-7-12(11-15)13(14)8-6-10-17(2,3)4/h5,7,9,11H,8H2,1-4H3
InChIKeyNRXHJCAVSGZGAS-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 86170278
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CID 15694387
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
3-amino-2-ethylbenzaldehyde
CID 22259616
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428
2-(4-chlorobut-2-ynoxy)-3-methoxybenzaldehyde
CID 53406394
2-ethenyl-3-methoxybenzaldehyde
CID 10487197
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
3-methoxy-2-methylselanylbenzaldehyde
CID 140629309
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-trimethylsilylprop-2-ynyl)benzaldehyde?
The IUPAC name of 3-methoxy-2-(3-trimethylsilylprop-2-ynyl)benzaldehyde (CID 11299596) is 3-methoxy-2-(3-trimethylsilylprop-2-ynyl)benzaldehyde.
What is the SMILES notation for 3-methoxy-2-(3-trimethylsilylprop-2-ynyl)benzaldehyde?
The canonical SMILES for 3-methoxy-2-(3-trimethylsilylprop-2-ynyl)benzaldehyde is COc1cccc(C=O)c1CC#C[Si](C)(C)C.
What is the InChIKey of 3-methoxy-2-(3-trimethylsilylprop-2-ynyl)benzaldehyde?
The InChIKey is NRXHJCAVSGZGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2Si/c1-16-14-9-5-7-12(11-15)13(14)8-6-10-17(2,3)4/h5,7,9,11H,8H2,1-4H3.
What are the key properties of 3-methoxy-2-(3-trimethylsilylprop-2-ynyl)benzaldehyde?
3-methoxy-2-(3-trimethylsilylprop-2-ynyl)benzaldehyde has a molecular weight of 246.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-trimethylsilylprop-2-ynyl)benzaldehyde is sourced from PubChem (CID 11299596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).