(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid

C14H30O4Si — CID 15469389

IUPAC(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid
SMILESC[C@@H](CO)[C@@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-11(10-15)12(8-7-9-13(16)17)18-19(5,6)14(2,3)4/h11-12,15H,7-10H2,1-6H3,(H,16,17)/t11-,12+/m0/s1
InChIKeyWCBNOYPSNARZCL-NWDGAFQWSA-N
MW290.48 g/mol
LogP3.26
Rot. Bonds8

About (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid

(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid (PubChem CID 15469389) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid.

Molecular Properties

Compound Name(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid
PubChem CID15469389
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid
SMILESC[C@@H](CO)[C@@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-11(10-15)12(8-7-9-13(16)17)18-19(5,6)14(2,3)4/h11-12,15H,7-10H2,1-6H3,(H,16,17)/t11-,12+/m0/s1
InChIKeyWCBNOYPSNARZCL-NWDGAFQWSA-N
XLogP3.26
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undecan-6-one
CID 10598768
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloct-7-ynoic acid
CID 135039835
methyl (5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxoheptanoate
CID 14463532
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol
CID 71401033
[3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid
CID 90042224
(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhex-5-enoic acid
CID 11188272
(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one
CID 10634857
2-[(1R,2R,3R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 18636572
(5S,6S,8E,11R,12S,14E,16R)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-6,8,12,14-tetramethyl-16-[(7R,9R)-7-methyl-6,10-dioxaspiro[4.5]decan-9-yl]heptadeca-8,14-dienoic acid
CID 11250587
(9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid
CID 100938118

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid?
The IUPAC name of (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid (CID 15469389) is (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid.
What is the SMILES notation for (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid?
The canonical SMILES for (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid is C[C@@H](CO)[C@@H](CCCC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid?
The InChIKey is WCBNOYPSNARZCL-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-11(10-15)12(8-7-9-13(16)17)18-19(5,6)14(2,3)4/h11-12,15H,7-10H2,1-6H3,(H,16,17)/t11-,12+/m0/s1.
What are the key properties of (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid?
(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid has a molecular weight of 290.48 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid is sourced from PubChem (CID 15469389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).