tert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate

C18H28O5 — CID 11278776

IUPACtert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate
SMILESCOc1ccc(COC[C@@H](C)[C@H](O)CC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H28O5/c1-13(16(19)10-17(20)23-18(2,3)4)11-22-12-14-6-8-15(21-5)9-7-14/h6-9,13,16,19H,10-12H2,1-5H3/t13-,16-/m1/s1
InChIKeyAYVCUOGCNNVXCG-CZUORRHYSA-N
MW324.42 g/mol
LogP2.94
Rot. Bonds8

About tert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate

tert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate (PubChem CID 11278776) has the molecular formula C18H28O5 and a molecular weight of 324.42 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate
PubChem CID11278776
Molecular FormulaC18H28O5
Molecular Weight324.42 g/mol
Exact Mass324.19
IUPAC Nametert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate
SMILESCOc1ccc(COC[C@@H](C)[C@H](O)CC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H28O5/c1-13(16(19)10-17(20)23-18(2,3)4)11-22-12-14-6-8-15(21-5)9-7-14/h6-9,13,16,19H,10-12H2,1-5H3/t13-,16-/m1/s1
InChIKeyAYVCUOGCNNVXCG-CZUORRHYSA-N
XLogP2.94
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S,6S)-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,6-dimethylheptan-3-one
CID 101412601
tert-butyl (3R,5S)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-6-phenylmethoxyhexanoate
CID 141144688
tert-butyl (3R,4R,5R,6R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4,6-dimethylnon-7-ynoate
CID 56957931
methyl (3S,6R)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-6-methylheptanoate
CID 10063989
(2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide
CID 11141931
(2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 10491992
[(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate
CID 71726345
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
(3R,4S)-6-[(4-methoxyphenyl)methoxy]-2,3,4-trimethylhexane-1,5-diol
CID 90293150
tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
(E,2S)-4-iodo-1-[(4-methoxyphenyl)methoxy]but-3-en-2-ol
CID 56651391
(2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol
CID 10857567

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate?
The IUPAC name of tert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate (CID 11278776) is tert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate.
What is the SMILES notation for tert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate?
The canonical SMILES for tert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate is COc1ccc(COC[C@@H](C)[C@H](O)CC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate?
The InChIKey is AYVCUOGCNNVXCG-CZUORRHYSA-N. The full InChI is InChI=1S/C18H28O5/c1-13(16(19)10-17(20)23-18(2,3)4)11-22-12-14-6-8-15(21-5)9-7-14/h6-9,13,16,19H,10-12H2,1-5H3/t13-,16-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate?
tert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate has a molecular weight of 324.42 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate is sourced from PubChem (CID 11278776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).