5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate

C27H56O3Si — CID 171051892

IUPAC5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate
SMILESCCCCCCCCC(CCCCCC)C(=O)OCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O3Si/c1-8-10-12-14-15-18-22-25(21-17-13-11-9-2)26(28)29-23-19-16-20-24-30-31(6,7)27(3,4)5/h25H,8-24H2,1-7H3
InChIKeySWGMHTVPTURMJJ-UHFFFAOYSA-N
MW456.83 g/mol
LogP9.06
Rot. Bonds20

About 5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate

5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate (PubChem CID 171051892) has the molecular formula C27H56O3Si and a molecular weight of 456.83 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate
PubChem CID171051892
Molecular FormulaC27H56O3Si
Molecular Weight456.83 g/mol
Exact Mass456.40
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate
SMILESCCCCCCCCC(CCCCCC)C(=O)OCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O3Si/c1-8-10-12-14-15-18-22-25(21-17-13-11-9-2)26(28)29-23-19-16-20-24-30-31(6,7)27(3,4)5/h25H,8-24H2,1-7H3
InChIKeySWGMHTVPTURMJJ-UHFFFAOYSA-N
XLogP9.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.83
LogP ≤ 59.06
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'}

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Related Compounds

tridecyl 2-hexadecylicosanoate
CID 159510432
decyl 2-octyltetradecanoate
CID 87368194
decyl 2-hexylpentadecanoate
CID 175318740
undecyl 2-heptyltridecanoate
CID 174740301
undecyl 2-heptyldodecanoate
CID 174658610
hexadecyl 2-hexylicosanoate
CID 87088758
decyl 2-hexyltetradecanoate
CID 57466026
octyl 2-butyldocosanoate
CID 174740469
germane;pentyl 2-pentylheptanoate
CID 173457558
tetradecyl 2-butylhexanoate
CID 91318887
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
[(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate
CID 10669508

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate (CID 171051892) is 5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate is CCCCCCCCC(CCCCCC)C(=O)OCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate?
The InChIKey is SWGMHTVPTURMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O3Si/c1-8-10-12-14-15-18-22-25(21-17-13-11-9-2)26(28)29-23-19-16-20-24-30-31(6,7)27(3,4)5/h25H,8-24H2,1-7H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate?
5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate has a molecular weight of 456.83 g/mol, XLogP of 9.06, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate is sourced from PubChem (CID 171051892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).