(2R,3S)-1-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylpent-4-en-2-ol

C20H40O4Si — CID 11210999

IUPAC(2R,3S)-1-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylpent-4-en-2-ol
SMILESC=C[C@H](C)[C@H](O)C[C@@H]1C[C@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C20H40O4Si/c1-10-15(2)18(21)14-17-13-16(23-20(6,7)24-17)11-12-22-25(8,9)19(3,4)5/h10,15-18,21H,1,11-14H2,2-9H3/t15-,16-,17-,18+/m0/s1
InChIKeyMVFGPZCQPABGRY-XLAORIBOSA-N
MW372.62 g/mol
LogP4.88
Rot. Bonds8

About (2R,3S)-1-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylpent-4-en-2-ol

(2R,3S)-1-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylpent-4-en-2-ol (PubChem CID 11210999) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is (2R,3S)-1-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylpent-4-en-2-ol.

Molecular Properties

Compound Name(2R,3S)-1-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylpent-4-en-2-ol
PubChem CID11210999
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Name(2R,3S)-1-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylpent-4-en-2-ol
SMILESC=C[C@H](C)[C@H](O)C[C@@H]1C[C@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C20H40O4Si/c1-10-15(2)18(21)14-17-13-16(23-20(6,7)24-17)11-12-22-25(8,9)19(3,4)5/h10,15-18,21H,1,11-14H2,2-9H3/t15-,16-,17-,18+/m0/s1
InChIKeyMVFGPZCQPABGRY-XLAORIBOSA-N
XLogP4.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,5R,6S)-2-[(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentan-2-yl]-4-(methoxymethoxy)-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-5-ol
CID 11123792
(2R,3S,4S,6R,7S)-3,7-dimethyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]non-8-ene-2,4,6-triol
CID 11210991
(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol
CID 11268781
(2S)-1-[(4S,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]pent-4-en-2-ol
CID 11281810
(2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol
CID 15981858
(2S)-1-[(2S,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]-3,3-dimethylpent-4-en-2-ol
CID 44208040
(2R,3S,6R,8R,10S)-8-[(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-7-tributylstannylhepta-2,6-dienyl]-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol
CID 134834232
(2S,3S,4S)-4-[(4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-2-methylpentane-1,3-diol
CID 134844232
tert-butyl-[2-[(4S,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]ethoxy]-dimethylsilane
CID 134850568
(2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol
CID 134854734
tert-butyl-[(E,2R,3R)-1-(2,6-dimethoxyoxan-4-yl)-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane
CID 134922656
(2R,3R,4S,5S,6S,7R,10E,12R,13R,14E,16R)-2-[(2S,3S,6S)-6-methoxy-3-methyloxan-2-yl]-4,6,12,14,16-pentamethyl-3,5,13-tris(triethylsilyloxy)nonadeca-10,14-dien-7-ol
CID 134953249

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylpent-4-en-2-ol?
The IUPAC name of (2R,3S)-1-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylpent-4-en-2-ol (CID 11210999) is (2R,3S)-1-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylpent-4-en-2-ol.
What is the SMILES notation for (2R,3S)-1-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylpent-4-en-2-ol?
The canonical SMILES for (2R,3S)-1-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylpent-4-en-2-ol is C=C[C@H](C)[C@H](O)C[C@@H]1C[C@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O1.
What is the InChIKey of (2R,3S)-1-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylpent-4-en-2-ol?
The InChIKey is MVFGPZCQPABGRY-XLAORIBOSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-10-15(2)18(21)14-17-13-16(23-20(6,7)24-17)11-12-22-25(8,9)19(3,4)5/h10,15-18,21H,1,11-14H2,2-9H3/t15-,16-,17-,18+/m0/s1.
What are the key properties of (2R,3S)-1-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylpent-4-en-2-ol?
(2R,3S)-1-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylpent-4-en-2-ol has a molecular weight of 372.62 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylpent-4-en-2-ol is sourced from PubChem (CID 11210999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).