3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid

C15H32O5Si — CID 123308582

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid
SMILESCC(C)(C)OC(O)CC(CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O5Si/c1-14(2,3)19-13(18)10-11(9-12(16)17)20-21(7,8)15(4,5)6/h11,13,18H,9-10H2,1-8H3,(H,16,17)
InChIKeyZZRQBFHRWJBVIY-UHFFFAOYSA-N
MW320.50 g/mol
LogP3.38
Rot. Bonds7

About 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid

3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid (PubChem CID 123308582) has the molecular formula C15H32O5Si and a molecular weight of 320.50 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid
PubChem CID123308582
Molecular FormulaC15H32O5Si
Molecular Weight320.50 g/mol
Exact Mass320.20
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid
SMILESCC(C)(C)OC(O)CC(CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O5Si/c1-14(2,3)19-13(18)10-11(9-12(16)17)20-21(7,8)15(4,5)6/h11,13,18H,9-10H2,1-8H3,(H,16,17)
InChIKeyZZRQBFHRWJBVIY-UHFFFAOYSA-N
XLogP3.38
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3-methylbutoxy)-5-oxopentanoic acid
CID 102169255
4-[tert-butyl(dimethyl)silyl]oxyheptane-2,6-dione
CID 123783100
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxohexanoic acid
CID 101339445
(3R,5R)-3-azido-5-[tert-butyl(dimethyl)silyl]oxy-6-chlorohexanoic acid
CID 102076473
(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 88701729
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid
CID 59831403
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid
CID 59132379
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanobutanoate;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanobutanoic acid;ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanobutanoate;ethyl (3S)-3-hydroxy-4-isocyanobutanoate
CID 158746361
(2R,6R,8R)-1,9-dibromo-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxynonan-4-one
CID 11342188
(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoic acid
CID 25180974
3-[tert-butyl(dimethyl)silyl]oxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoic acid
CID 90700845

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid (CID 123308582) is 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid is CC(C)(C)OC(O)CC(CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid?
The InChIKey is ZZRQBFHRWJBVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O5Si/c1-14(2,3)19-13(18)10-11(9-12(16)17)20-21(7,8)15(4,5)6/h11,13,18H,9-10H2,1-8H3,(H,16,17).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid has a molecular weight of 320.50 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid is sourced from PubChem (CID 123308582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).