7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl propanoate

C19H38O3Si — CID 102286143

IUPAC7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl propanoate
SMILESC=CCC(CCCCCCOC(=O)CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-8-14-17(22-23(6,7)19(3,4)5)15-12-10-11-13-16-21-18(20)9-2/h8,17H,1,9-16H2,2-7H3
InChIKeyVKAHVFPPCRZJPR-UHFFFAOYSA-N
MW342.60 g/mol
LogP5.86
Rot. Bonds12

About 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl propanoate

7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl propanoate (PubChem CID 102286143) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl propanoate.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl propanoate
PubChem CID102286143
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl propanoate
SMILESC=CCC(CCCCCCOC(=O)CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-8-14-17(22-23(6,7)19(3,4)5)15-12-10-11-13-16-21-18(20)9-2/h8,17H,1,9-16H2,2-7H3
InChIKeyVKAHVFPPCRZJPR-UHFFFAOYSA-N
XLogP5.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.86
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethyl (3R,6S)-6-(triisopropylsiloxy)-3,4-tridecadienoate
CID 11825755
[(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate
CID 53343505
[(7E)-5-methylidene-7-(trimethylsilylmethylidene)tridecyl] 2,2-dimethylpropanoate
CID 100968593
[(E)-1-triethylsilyldec-1-en-3-yl] acetate
CID 101544369
[(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate
CID 135079804
3-[(2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-yl]propyl 2,2-dimethylpropanoate
CID 178184688
Hexadec-9-enoic acid, 7-tert-butyldimethylsilyloxy-, methyl ester
CID 6421210
(5E,8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-1-oxacyclotetradec-5-en-2-one
CID 10862501
ethyl (E)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enoate
CID 10071970
ethyl (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enoate
CID 10478458
methyl (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enoate
CID 10598555
Pentadecan-2-yl but-3-enoate
CID 22764806

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl propanoate?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl propanoate (CID 102286143) is 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl propanoate.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl propanoate?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl propanoate is C=CCC(CCCCCCOC(=O)CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl propanoate?
The InChIKey is VKAHVFPPCRZJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-8-14-17(22-23(6,7)19(3,4)5)15-12-10-11-13-16-21-18(20)9-2/h8,17H,1,9-16H2,2-7H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl propanoate?
7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl propanoate has a molecular weight of 342.60 g/mol, XLogP of 5.86, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl propanoate is sourced from PubChem (CID 102286143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).