methane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate;methyl (3S)-3,4-dihydroxybutanoate

C18H40O7Si — CID 159450631

IUPACmethane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate;methyl (3S)-3,4-dihydroxybutanoate
SMILESC.CC[C@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C.COC(=O)C[C@H](O)CO
InChIInChI=1S/C12H26O3Si.C5H10O4.CH4/c1-8-10(9-11(13)14-5)15-16(6,7)12(2,3)4;1-9-5(8)2-4(7)3-6;/h10H,8-9H2,1-7H3;4,6-7H,2-3H2,1H3;1H4/t10-;4-;/m10./s1
InChIKeyLTICTXWGIZZCFH-RUFWJCNMSA-N
MW396.60 g/mol
LogP2.89
Rot. Bonds8

About methane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate;methyl (3S)-3,4-dihydroxybutanoate

methane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate;methyl (3S)-3,4-dihydroxybutanoate (PubChem CID 159450631) has the molecular formula C18H40O7Si and a molecular weight of 396.60 g/mol. Its IUPAC name is methane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate;methyl (3S)-3,4-dihydroxybutanoate.

Molecular Properties

Compound Namemethane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate;methyl (3S)-3,4-dihydroxybutanoate
PubChem CID159450631
Molecular FormulaC18H40O7Si
Molecular Weight396.60 g/mol
Exact Mass396.25
IUPAC Namemethane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate;methyl (3S)-3,4-dihydroxybutanoate
SMILESC.CC[C@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C.COC(=O)C[C@H](O)CO
InChIInChI=1S/C12H26O3Si.C5H10O4.CH4/c1-8-10(9-11(13)14-5)15-16(6,7)12(2,3)4;1-9-5(8)2-4(7)3-6;/h10H,8-9H2,1-7H3;4,6-7H,2-3H2,1H3;1H4/t10-;4-;/m10./s1
InChIKeyLTICTXWGIZZCFH-RUFWJCNMSA-N
XLogP2.89
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 14584147
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 24823711
(3R,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]peroxy]-2,2-difluoro-4-hydroxypentanoic acid
CID 88419719
methyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate
CID 10732282
(3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid
CID 11346442
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 14584148
Propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-(methoxymethoxy)pentanoate
CID 16719806
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 75104437
Ethyl 3-hydroxy-4-((triisopropylsilyl)oxy)butanoate
CID 85257417
7-[Tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhept-5-ynoic acid
CID 101495893
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpentanoate
CID 134996947
methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate
CID 11199155

Frequently Asked Questions

What is the IUPAC name of methane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate;methyl (3S)-3,4-dihydroxybutanoate?
The IUPAC name of methane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate;methyl (3S)-3,4-dihydroxybutanoate (CID 159450631) is methane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate;methyl (3S)-3,4-dihydroxybutanoate.
What is the SMILES notation for methane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate;methyl (3S)-3,4-dihydroxybutanoate?
The canonical SMILES for methane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate;methyl (3S)-3,4-dihydroxybutanoate is C.CC[C@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C.COC(=O)C[C@H](O)CO.
What is the InChIKey of methane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate;methyl (3S)-3,4-dihydroxybutanoate?
The InChIKey is LTICTXWGIZZCFH-RUFWJCNMSA-N. The full InChI is InChI=1S/C12H26O3Si.C5H10O4.CH4/c1-8-10(9-11(13)14-5)15-16(6,7)12(2,3)4;1-9-5(8)2-4(7)3-6;/h10H,8-9H2,1-7H3;4,6-7H,2-3H2,1H3;1H4/t10-;4-;/m10./s1.
What are the key properties of methane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate;methyl (3S)-3,4-dihydroxybutanoate?
methane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate;methyl (3S)-3,4-dihydroxybutanoate has a molecular weight of 396.60 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate;methyl (3S)-3,4-dihydroxybutanoate is sourced from PubChem (CID 159450631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).