5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoic acid

C24H48O5Si2 — CID 21185316

IUPAC5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoic acid
SMILESCC(C)=CCCC(C)CCOC(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(=O)O
InChIInChI=1S/C24H48O5Si2/c1-21(2)13-12-14-22(3)17-18-28-24(27)16-9-11-20-31(6,7)29-30(4,5)19-10-8-15-23(25)26/h13,22H,8-12,14-20H2,1-7H3,(H,25,26)
InChIKeyZEDQRRJMMQQSJF-UHFFFAOYSA-N
MW472.82 g/mol
LogP7.15
Rot. Bonds18

About 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoic acid

5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoic acid (PubChem CID 21185316) has the molecular formula C24H48O5Si2 and a molecular weight of 472.82 g/mol. Its IUPAC name is 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoic acid.

Molecular Properties

Compound Name5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoic acid
PubChem CID21185316
Molecular FormulaC24H48O5Si2
Molecular Weight472.82 g/mol
Exact Mass472.30
IUPAC Name5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoic acid
SMILESCC(C)=CCCC(C)CCOC(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(=O)O
InChIInChI=1S/C24H48O5Si2/c1-21(2)13-12-14-22(3)17-18-28-24(27)16-9-11-20-31(6,7)29-30(4,5)19-10-8-15-23(25)26/h13,22H,8-12,14-20H2,1-7H3,(H,25,26)
InChIKeyZEDQRRJMMQQSJF-UHFFFAOYSA-N
XLogP7.15
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.82
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(E,2S,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoic acid
CID 11045712
ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 11231042
Ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 72761153
Ethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate
CID 164665760
3,7-Dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate
CID 15847289
5-[4,6,8-Tris[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]pentanoic acid
CID 21185318
11-(1,1,3,3,3-Pentamethyl-disiloxanyl)-undecanoic acid 3,7-dimethyl-oct-6-enyl ester
CID 54318200
5-(1,1,3,3,3-Pentamethyl-disiloxanyl)-pentanoic Acid 3,7-dimethyl-oct-6-enyl Ester
CID 54447955
6-[3-[[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropoxycarbonyl]cyclohex-3-ene-1-carboxylic acid
CID 58113132
6-[2-[3-[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid
CID 58113140
3,7-Dimethyloct-6-enyl 5-[4,6,8-tris[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]pentanoate
CID 88228474
6-[2-[4-[2-[Butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid
CID 89811895

Frequently Asked Questions

What is the IUPAC name of 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoic acid?
The IUPAC name of 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoic acid (CID 21185316) is 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoic acid.
What is the SMILES notation for 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoic acid?
The canonical SMILES for 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoic acid is CC(C)=CCCC(C)CCOC(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(=O)O.
What is the InChIKey of 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoic acid?
The InChIKey is ZEDQRRJMMQQSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O5Si2/c1-21(2)13-12-14-22(3)17-18-28-24(27)16-9-11-20-31(6,7)29-30(4,5)19-10-8-15-23(25)26/h13,22H,8-12,14-20H2,1-7H3,(H,25,26).
What are the key properties of 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoic acid?
5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoic acid has a molecular weight of 472.82 g/mol, XLogP of 7.15, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoic acid is sourced from PubChem (CID 21185316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).