tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate

C19H40O5Si — CID 11485711

IUPACtert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate
SMILESCC(C)[Si](OC[C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H40O5Si/c1-13(2)25(14(3)4,15(5)6)23-12-17(21)10-16(20)11-18(22)24-19(7,8)9/h13-17,20-21H,10-12H2,1-9H3/t16-,17+/m1/s1
InChIKeyRHIVPNONUUUZLI-SJORKVTESA-N
MW376.61 g/mol
LogP4.02
Rot. Bonds10

About tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate

tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate (PubChem CID 11485711) has the molecular formula C19H40O5Si and a molecular weight of 376.61 g/mol. Its IUPAC name is tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate.

Molecular Properties

Compound Nametert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate
PubChem CID11485711
Molecular FormulaC19H40O5Si
Molecular Weight376.61 g/mol
Exact Mass376.26
IUPAC Nametert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate
SMILESCC(C)[Si](OC[C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H40O5Si/c1-13(2)25(14(3)4,15(5)6)23-12-17(21)10-16(20)11-18(22)24-19(7,8)9/h13-17,20-21H,10-12H2,1-9H3/t16-,17+/m1/s1
InChIKeyRHIVPNONUUUZLI-SJORKVTESA-N
XLogP4.02
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.61
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(hydroxymethyl)-tetrahydropyran-2-one
CID 10659025
4-[Tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
(5S, 6R) Methyl 5,6-di(tert-butyldimethylsiloxy)-7-hydroxyheptanoate
CID 86598272
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)oxolane-2-carboxylate
CID 14483580
(3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]oxolan-2-one
CID 15318716
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 23631762
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate
CID 23642893
ethyl (2R,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 24823367
methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate
CID 72945079
methyl (3S,5R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyhexanoate
CID 102361535
tert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate
CID 134879057
methyl (3R,5R,6R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyheptanoate
CID 134930704

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate?
The IUPAC name of tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate (CID 11485711) is tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate.
What is the SMILES notation for tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate?
The canonical SMILES for tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate is CC(C)[Si](OC[C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate?
The InChIKey is RHIVPNONUUUZLI-SJORKVTESA-N. The full InChI is InChI=1S/C19H40O5Si/c1-13(2)25(14(3)4,15(5)6)23-12-17(21)10-16(20)11-18(22)24-19(7,8)9/h13-17,20-21H,10-12H2,1-9H3/t16-,17+/m1/s1.
What are the key properties of tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate?
tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate has a molecular weight of 376.61 g/mol, XLogP of 4.02, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate is sourced from PubChem (CID 11485711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).