methyl 3-tri(propan-2-yl)silyloxydec-5-ynoate

C20H38O3Si — CID 10498368

IUPACmethyl 3-tri(propan-2-yl)silyloxydec-5-ynoate
SMILESCCCCC#CCC(CC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38O3Si/c1-9-10-11-12-13-14-19(15-20(21)22-8)23-24(16(2)3,17(4)5)18(6)7/h16-19H,9-11,14-15H2,1-8H3
InChIKeyUAWXCTMUACSMGA-UHFFFAOYSA-N
MW354.61 g/mol
LogP5.69
Rot. Bonds10

About methyl 3-tri(propan-2-yl)silyloxydec-5-ynoate

methyl 3-tri(propan-2-yl)silyloxydec-5-ynoate (PubChem CID 10498368) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is methyl 3-tri(propan-2-yl)silyloxydec-5-ynoate.

Molecular Properties

Compound Namemethyl 3-tri(propan-2-yl)silyloxydec-5-ynoate
PubChem CID10498368
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Namemethyl 3-tri(propan-2-yl)silyloxydec-5-ynoate
SMILESCCCCC#CCC(CC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38O3Si/c1-9-10-11-12-13-14-19(15-20(21)22-8)23-24(16(2)3,17(4)5)18(6)7/h16-19H,9-11,14-15H2,1-8H3
InChIKeyUAWXCTMUACSMGA-UHFFFAOYSA-N
XLogP5.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 101907487
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 154707305
3-Tri(propan-2-yl)silyloxydec-5-ynoic acid
CID 10521150
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 10900943
Methyl 3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 14280327
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 14280328
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
CID 59372853
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
CID 72273509
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
CID 89058031
2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 90362167
Ethyl 3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 123198737
Methyl 3-trimethylsilyloxypentanoate
CID 139928241

Frequently Asked Questions

What is the IUPAC name of methyl 3-tri(propan-2-yl)silyloxydec-5-ynoate?
The IUPAC name of methyl 3-tri(propan-2-yl)silyloxydec-5-ynoate (CID 10498368) is methyl 3-tri(propan-2-yl)silyloxydec-5-ynoate.
What is the SMILES notation for methyl 3-tri(propan-2-yl)silyloxydec-5-ynoate?
The canonical SMILES for methyl 3-tri(propan-2-yl)silyloxydec-5-ynoate is CCCCC#CCC(CC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl 3-tri(propan-2-yl)silyloxydec-5-ynoate?
The InChIKey is UAWXCTMUACSMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-9-10-11-12-13-14-19(15-20(21)22-8)23-24(16(2)3,17(4)5)18(6)7/h16-19H,9-11,14-15H2,1-8H3.
What are the key properties of methyl 3-tri(propan-2-yl)silyloxydec-5-ynoate?
methyl 3-tri(propan-2-yl)silyloxydec-5-ynoate has a molecular weight of 354.61 g/mol, XLogP of 5.69, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-tri(propan-2-yl)silyloxydec-5-ynoate is sourced from PubChem (CID 10498368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).