(4R,6S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethylundec-10-enoic acid

C21H42O3Si — CID 102315319

IUPAC(4R,6S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethylundec-10-enoic acid
SMILESC=C(C)C[C@H](C)C[C@H](C)C[C@@H](C)C(CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si/c1-15(2)11-16(3)12-17(4)13-18(5)19(14-20(22)23)24-25(9,10)21(6,7)8/h16-19H,1,11-14H2,2-10H3,(H,22,23)/t16-,17-,18+,19?/m0/s1
InChIKeyRCWUUGDCDHMGOP-HTUJPFKRSA-N
MW370.65 g/mol
LogP6.51
Rot. Bonds11

About (4R,6S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethylundec-10-enoic acid

(4R,6S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethylundec-10-enoic acid (PubChem CID 102315319) has the molecular formula C21H42O3Si and a molecular weight of 370.65 g/mol. Its IUPAC name is (4R,6S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethylundec-10-enoic acid.

Molecular Properties

Compound Name(4R,6S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethylundec-10-enoic acid
PubChem CID102315319
Molecular FormulaC21H42O3Si
Molecular Weight370.65 g/mol
Exact Mass370.29
IUPAC Name(4R,6S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethylundec-10-enoic acid
SMILESC=C(C)C[C@H](C)C[C@H](C)C[C@@H](C)C(CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si/c1-15(2)11-16(3)12-17(4)13-18(5)19(14-20(22)23)24-25(9,10)21(6,7)8/h16-19H,1,11-14H2,2-10H3,(H,22,23)/t16-,17-,18+,19?/m0/s1
InChIKeyRCWUUGDCDHMGOP-HTUJPFKRSA-N
XLogP6.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,6S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethylundec-10-enoic acid?
The IUPAC name of (4R,6S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethylundec-10-enoic acid (CID 102315319) is (4R,6S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethylundec-10-enoic acid.
What is the SMILES notation for (4R,6S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethylundec-10-enoic acid?
The canonical SMILES for (4R,6S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethylundec-10-enoic acid is C=C(C)C[C@H](C)C[C@H](C)C[C@@H](C)C(CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,6S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethylundec-10-enoic acid?
The InChIKey is RCWUUGDCDHMGOP-HTUJPFKRSA-N. The full InChI is InChI=1S/C21H42O3Si/c1-15(2)11-16(3)12-17(4)13-18(5)19(14-20(22)23)24-25(9,10)21(6,7)8/h16-19H,1,11-14H2,2-10H3,(H,22,23)/t16-,17-,18+,19?/m0/s1.
What are the key properties of (4R,6S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethylundec-10-enoic acid?
(4R,6S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethylundec-10-enoic acid has a molecular weight of 370.65 g/mol, XLogP of 6.51, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethylundec-10-enoic acid is sourced from PubChem (CID 102315319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).