3-tri(propan-2-yl)silyloxydec-5-ynoic acid

C19H36O3Si — CID 10521150

IUPAC3-tri(propan-2-yl)silyloxydec-5-ynoic acid
SMILESCCCCC#CCC(CC(=O)O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H36O3Si/c1-8-9-10-11-12-13-18(14-19(20)21)22-23(15(2)3,16(4)5)17(6)7/h15-18H,8-10,13-14H2,1-7H3,(H,20,21)
InChIKeyBFHGOZASGIWYPR-UHFFFAOYSA-N
MW340.58 g/mol
LogP5.61
Rot. Bonds10

About 3-tri(propan-2-yl)silyloxydec-5-ynoic acid

3-tri(propan-2-yl)silyloxydec-5-ynoic acid (PubChem CID 10521150) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is 3-tri(propan-2-yl)silyloxydec-5-ynoic acid.

Molecular Properties

Compound Name3-tri(propan-2-yl)silyloxydec-5-ynoic acid
PubChem CID10521150
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name3-tri(propan-2-yl)silyloxydec-5-ynoic acid
SMILESCCCCC#CCC(CC(=O)O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H36O3Si/c1-8-9-10-11-12-13-18(14-19(20)21)22-23(15(2)3,16(4)5)17(6)7/h15-18H,8-10,13-14H2,1-7H3,(H,20,21)
InChIKeyBFHGOZASGIWYPR-UHFFFAOYSA-N
XLogP5.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Methyl 3-tri(propan-2-yl)silyloxydec-5-ynoate
CID 10498368
ethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate
CID 11356639
3-Tri(propan-2-yl)silyloxypentanoic acid
CID 56983939
3-[Tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 57064820
Ethyl 3-hydroxy-6-trimethylsilylhex-5-ynoate
CID 72814963
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 87381461
(3S)-3-tri(propan-2-yl)silyloxypentanoic acid
CID 88494029
(3S)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 139805329
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-ynoate
CID 141428397
[Tert-butyl(dimethyl)silyl] 3-hydroxypentanoate
CID 173633048
ethyl (3R)-3-hydroxy-6-trimethylsilylhex-5-ynoate
CID 44178597
propan-2-yl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate
CID 45102885

Frequently Asked Questions

What is the IUPAC name of 3-tri(propan-2-yl)silyloxydec-5-ynoic acid?
The IUPAC name of 3-tri(propan-2-yl)silyloxydec-5-ynoic acid (CID 10521150) is 3-tri(propan-2-yl)silyloxydec-5-ynoic acid.
What is the SMILES notation for 3-tri(propan-2-yl)silyloxydec-5-ynoic acid?
The canonical SMILES for 3-tri(propan-2-yl)silyloxydec-5-ynoic acid is CCCCC#CCC(CC(=O)O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-tri(propan-2-yl)silyloxydec-5-ynoic acid?
The InChIKey is BFHGOZASGIWYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-8-9-10-11-12-13-18(14-19(20)21)22-23(15(2)3,16(4)5)17(6)7/h15-18H,8-10,13-14H2,1-7H3,(H,20,21).
What are the key properties of 3-tri(propan-2-yl)silyloxydec-5-ynoic acid?
3-tri(propan-2-yl)silyloxydec-5-ynoic acid has a molecular weight of 340.58 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tri(propan-2-yl)silyloxydec-5-ynoic acid is sourced from PubChem (CID 10521150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).