methyl 3-(1-cyclopropyl-1-trimethylsilylprop-2-ynoxy)-4,5-dimethoxybenzoate

C19H26O5Si — CID 87871263

IUPACmethyl 3-(1-cyclopropyl-1-trimethylsilylprop-2-ynoxy)-4,5-dimethoxybenzoate
SMILESC#CC(Oc1cc(C(=O)OC)cc(OC)c1OC)(C1CC1)[Si](C)(C)C
InChIInChI=1S/C19H26O5Si/c1-8-19(14-9-10-14,25(5,6)7)24-16-12-13(18(20)23-4)11-15(21-2)17(16)22-3/h1,11-12,14H,9-10H2,2-7H3
InChIKeyBILSGUVIEYNIMD-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.53
Rot. Bonds7

About methyl 3-(1-cyclopropyl-1-trimethylsilylprop-2-ynoxy)-4,5-dimethoxybenzoate

methyl 3-(1-cyclopropyl-1-trimethylsilylprop-2-ynoxy)-4,5-dimethoxybenzoate (PubChem CID 87871263) has the molecular formula C19H26O5Si and a molecular weight of 362.50 g/mol. Its IUPAC name is methyl 3-(1-cyclopropyl-1-trimethylsilylprop-2-ynoxy)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 3-(1-cyclopropyl-1-trimethylsilylprop-2-ynoxy)-4,5-dimethoxybenzoate
PubChem CID87871263
Molecular FormulaC19H26O5Si
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Namemethyl 3-(1-cyclopropyl-1-trimethylsilylprop-2-ynoxy)-4,5-dimethoxybenzoate
SMILESC#CC(Oc1cc(C(=O)OC)cc(OC)c1OC)(C1CC1)[Si](C)(C)C
InChIInChI=1S/C19H26O5Si/c1-8-19(14-9-10-14,25(5,6)7)24-16-12-13(18(20)23-4)11-15(21-2)17(16)22-3/h1,11-12,14H,9-10H2,2-7H3
InChIKeyBILSGUVIEYNIMD-UHFFFAOYSA-N
XLogP3.53
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate
CID 10447980
methyl 4-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]benzoate
CID 170457460
methyl 3-(2-hydroxypropan-2-yl)-4,5-dimethoxybenzoate
CID 117388803
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 8013431
3,5-dimethoxycyclohexa-2,5-diene-1-carboxylic acid;methyl 3,4,5-trimethoxybenzoate
CID 155589810
methyl 3,5-diacetyloxy-4-methoxybenzoate
CID 139070883
cyanomethyl 3,4,5-trimethoxybenzoate
CID 2681800
methyl 3,4-dimethoxy-5-pyrrolidin-3-ylbenzoate
CID 117417261
3-(1-cyclopropylprop-2-ynoxy)-4,5-dimethoxybenzoic acid
CID 19074965
methyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate
CID 18958757
N-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431699
3,4,5-trimethoxy-N-[(3S)-3-methylpent-1-yn-3-yl]benzamide
CID 709973

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-cyclopropyl-1-trimethylsilylprop-2-ynoxy)-4,5-dimethoxybenzoate?
The IUPAC name of methyl 3-(1-cyclopropyl-1-trimethylsilylprop-2-ynoxy)-4,5-dimethoxybenzoate (CID 87871263) is methyl 3-(1-cyclopropyl-1-trimethylsilylprop-2-ynoxy)-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 3-(1-cyclopropyl-1-trimethylsilylprop-2-ynoxy)-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 3-(1-cyclopropyl-1-trimethylsilylprop-2-ynoxy)-4,5-dimethoxybenzoate is C#CC(Oc1cc(C(=O)OC)cc(OC)c1OC)(C1CC1)[Si](C)(C)C.
What is the InChIKey of methyl 3-(1-cyclopropyl-1-trimethylsilylprop-2-ynoxy)-4,5-dimethoxybenzoate?
The InChIKey is BILSGUVIEYNIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O5Si/c1-8-19(14-9-10-14,25(5,6)7)24-16-12-13(18(20)23-4)11-15(21-2)17(16)22-3/h1,11-12,14H,9-10H2,2-7H3.
What are the key properties of methyl 3-(1-cyclopropyl-1-trimethylsilylprop-2-ynoxy)-4,5-dimethoxybenzoate?
methyl 3-(1-cyclopropyl-1-trimethylsilylprop-2-ynoxy)-4,5-dimethoxybenzoate has a molecular weight of 362.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-cyclopropyl-1-trimethylsilylprop-2-ynoxy)-4,5-dimethoxybenzoate is sourced from PubChem (CID 87871263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).