methyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate

C22H40O6Si — CID 71489978

IUPACmethyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate
SMILESCOC(=O)CCC[C@H](O)C[C@@H]1C/C(=C/[Si](C)(C)C)C[C@H](CC(=O)OC(C)(C)C)O1
InChIInChI=1S/C22H40O6Si/c1-22(2,3)28-21(25)14-19-12-16(15-29(5,6)7)11-18(27-19)13-17(23)9-8-10-20(24)26-4/h15,17-19,23H,8-14H2,1-7H3/b16-15-/t17-,18-,19+/m0/s1
InChIKeyQBEIBYVWOZIZON-IYOQKRSPSA-N
MW428.64 g/mol
LogP4.16
Rot. Bonds9

About methyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate

methyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate (PubChem CID 71489978) has the molecular formula C22H40O6Si and a molecular weight of 428.64 g/mol. Its IUPAC name is methyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate.

Molecular Properties

Compound Namemethyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate
PubChem CID71489978
Molecular FormulaC22H40O6Si
Molecular Weight428.64 g/mol
Exact Mass428.26
IUPAC Namemethyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate
SMILESCOC(=O)CCC[C@H](O)C[C@@H]1C/C(=C/[Si](C)(C)C)C[C@H](CC(=O)OC(C)(C)C)O1
InChIInChI=1S/C22H40O6Si/c1-22(2,3)28-21(25)14-19-12-16(15-29(5,6)7)11-18(27-19)13-17(23)9-8-10-20(24)26-4/h15,17-19,23H,8-14H2,1-7H3/b16-15-/t17-,18-,19+/m0/s1
InChIKeyQBEIBYVWOZIZON-IYOQKRSPSA-N
XLogP4.16
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.64
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate 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

(4S,6S)-4-hydroxy-6-[(2R,3R)-3-tri(propan-2-yl)silyloxyhept-6-en-2-yl]oxan-2-one
CID 134918877
methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
CID 11783612
ethyl (3R)-3-hydroxy-4-[(2R,6S)-6-[(2S)-4-hydroxy-2-methylidenephosphanyloxybutyl]-4-methylideneoxan-2-yl]butanoate
CID 118281314
ethyl (3R)-3-hydroxy-4-[(2R,6S)-6-[(2S)-4-hydroxy-2-phosphanyloxybutyl]-4-methylideneoxan-2-yl]butanoate
CID 130359524
Ethyl 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoate
CID 142654576
Ethyl 3-hydroxy-4-[6-(4-hydroxybutyl)-4-methylideneoxan-2-yl]butanoate
CID 143880229
Tert-butyl 2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclohexen-1-yl]acetate
CID 174013570
tert-butyl 2-[(2S,4S,6S,8R,10S)-10-hydroxy-2-[(3R)-4-hydroxy-3-methyl-2-methylidenebutyl]-4-methyl-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
CID 10506355
(2R)-2-[(4S,5R,6S)-6-[(2S,5S,6R,7S,8S,9R)-5-[tert-butyl(dimethyl)silyl]oxy-7,9-dihydroxy-6,8-dimethyl-4-methylidenedecan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid
CID 10951693
(1S,2R,5R,6R,7S,8R,9S,12S,13S,17R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,5,6,8,12,15,15,17-octamethyl-10-methylidene-4,14,16-trioxabicyclo[11.3.1]heptadecan-3-one
CID 10984233
tert-butyl (3R,5R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-8,8-dimethyldec-9-enoate
CID 10993437
4-[[(2R,3S,5R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxy-3-carboxy-2-methylpropyl]-3,5-dihydroxy-2-methyloxan-2-yl]methyl]pent-4-enoic acid
CID 11134546

Frequently Asked Questions

What is the IUPAC name of methyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate?
The IUPAC name of methyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate (CID 71489978) is methyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate.
What is the SMILES notation for methyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate?
The canonical SMILES for methyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate is COC(=O)CCC[C@H](O)C[C@@H]1C/C(=C/[Si](C)(C)C)C[C@H](CC(=O)OC(C)(C)C)O1.
What is the InChIKey of methyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate?
The InChIKey is QBEIBYVWOZIZON-IYOQKRSPSA-N. The full InChI is InChI=1S/C22H40O6Si/c1-22(2,3)28-21(25)14-19-12-16(15-29(5,6)7)11-18(27-19)13-17(23)9-8-10-20(24)26-4/h15,17-19,23H,8-14H2,1-7H3/b16-15-/t17-,18-,19+/m0/s1.
What are the key properties of methyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate?
methyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate has a molecular weight of 428.64 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate is sourced from PubChem (CID 71489978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).