methyl 3-naphthalen-1-yl-5-trimethylsilylpent-4-ynoate

C19H22O2Si — CID 164669647

IUPACmethyl 3-naphthalen-1-yl-5-trimethylsilylpent-4-ynoate
SMILESCOC(=O)CC(C#C[Si](C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C19H22O2Si/c1-21-19(20)14-16(12-13-22(2,3)4)18-11-7-9-15-8-5-6-10-17(15)18/h5-11,16H,14H2,1-4H3
InChIKeyMFRWVWBFAYZPEE-UHFFFAOYSA-N
MW310.47 g/mol
LogP4.37
Rot. Bonds3

About methyl 3-naphthalen-1-yl-5-trimethylsilylpent-4-ynoate

methyl 3-naphthalen-1-yl-5-trimethylsilylpent-4-ynoate (PubChem CID 164669647) has the molecular formula C19H22O2Si and a molecular weight of 310.47 g/mol. Its IUPAC name is methyl 3-naphthalen-1-yl-5-trimethylsilylpent-4-ynoate.

Molecular Properties

Compound Namemethyl 3-naphthalen-1-yl-5-trimethylsilylpent-4-ynoate
PubChem CID164669647
Molecular FormulaC19H22O2Si
Molecular Weight310.47 g/mol
Exact Mass310.14
IUPAC Namemethyl 3-naphthalen-1-yl-5-trimethylsilylpent-4-ynoate
SMILESCOC(=O)CC(C#C[Si](C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C19H22O2Si/c1-21-19(20)14-16(12-13-22(2,3)4)18-11-7-9-15-8-5-6-10-17(15)18/h5-11,16H,14H2,1-4H3
InChIKeyMFRWVWBFAYZPEE-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

methyl 3-hydroperoxy-3-naphthalen-1-ylpropanoate
CID 89115369
methyl 3-amino-5-trimethylsilylpent-4-ynoate
CID 18784307
methyl 3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate
CID 3770582
methyl (3S)-3-(furan-2-carbonylamino)-3-naphthalen-1-ylpropanoate
CID 40632655
methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate
CID 7145124
1-O-methyl 5-O-[(1R)-1-naphthalen-1-ylethyl] (3S)-3-phenylpentanedioate
CID 100987751
methyl 3-amino-3-isoquinolin-4-ylpropanoate
CID 104504325
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate
CID 116857163
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate
CID 125124293
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153

Frequently Asked Questions

What is the IUPAC name of methyl 3-naphthalen-1-yl-5-trimethylsilylpent-4-ynoate?
The IUPAC name of methyl 3-naphthalen-1-yl-5-trimethylsilylpent-4-ynoate (CID 164669647) is methyl 3-naphthalen-1-yl-5-trimethylsilylpent-4-ynoate.
What is the SMILES notation for methyl 3-naphthalen-1-yl-5-trimethylsilylpent-4-ynoate?
The canonical SMILES for methyl 3-naphthalen-1-yl-5-trimethylsilylpent-4-ynoate is COC(=O)CC(C#C[Si](C)(C)C)c1cccc2ccccc12.
What is the InChIKey of methyl 3-naphthalen-1-yl-5-trimethylsilylpent-4-ynoate?
The InChIKey is MFRWVWBFAYZPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2Si/c1-21-19(20)14-16(12-13-22(2,3)4)18-11-7-9-15-8-5-6-10-17(15)18/h5-11,16H,14H2,1-4H3.
What are the key properties of methyl 3-naphthalen-1-yl-5-trimethylsilylpent-4-ynoate?
methyl 3-naphthalen-1-yl-5-trimethylsilylpent-4-ynoate has a molecular weight of 310.47 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-naphthalen-1-yl-5-trimethylsilylpent-4-ynoate is sourced from PubChem (CID 164669647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).