(2R,3R,6S)-6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-3-enyl]-3-methyloxan-2-ol

C19H38O4Si — CID 10383794

IUPAC(2R,3R,6S)-6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-3-enyl]-3-methyloxan-2-ol
SMILESCO[C@@H](C[C@@H]1CC[C@@H](C)[C@H](O)O1)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-14(11-12-22-24(7,8)19(3,4)5)17(21-6)13-16-10-9-15(2)18(20)23-16/h11,15-18,20H,9-10,12-13H2,1-8H3/b14-11+/t15-,16+,17+,18-/m1/s1
InChIKeyXYJBBAJNZOJMID-PYTMWAQOSA-N
MW358.60 g/mol
LogP4.49
Rot. Bonds7

About (2R,3R,6S)-6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-3-enyl]-3-methyloxan-2-ol

(2R,3R,6S)-6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-3-enyl]-3-methyloxan-2-ol (PubChem CID 10383794) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is (2R,3R,6S)-6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-3-enyl]-3-methyloxan-2-ol.

Molecular Properties

Compound Name(2R,3R,6S)-6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-3-enyl]-3-methyloxan-2-ol
PubChem CID10383794
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Name(2R,3R,6S)-6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-3-enyl]-3-methyloxan-2-ol
SMILESCO[C@@H](C[C@@H]1CC[C@@H](C)[C@H](O)O1)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-14(11-12-22-24(7,8)19(3,4)5)17(21-6)13-16-10-9-15(2)18(20)23-16/h11,15-18,20H,9-10,12-13H2,1-8H3/b14-11+/t15-,16+,17+,18-/m1/s1
InChIKeyXYJBBAJNZOJMID-PYTMWAQOSA-N
XLogP4.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.49
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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Launch Full Analysis

Related Compounds

(2Z)-2-[(2S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloxan-3-ylidene]ethanol
CID 44351400
(3R,4R,5S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(2S,3S,6R)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-1-trimethylsilylnon-1-yn-5-ol
CID 16220681
(2E,5S,6R,7R,8S,9R,10E,12E,15R,16Z,18E)-6-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9,11,15,17-heptamethyl-19-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]nonadeca-2,10,12,16,18-pentaen-8-ol
CID 24740598
(Z,5S,6R,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-12-(oxan-2-yloxy)dodec-10-en-2-yn-5-ol
CID 24756154
(E,2S,3S)-6-[(2R,3S,6S,8R,10S)-2-[(2S)-butan-2-yl]-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-1-ol
CID 134931436
(2S,3S)-2-[(2S,5S,6R,7S,8Z,10Z,12E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-6-methyltetradeca-8,10,12-trien-2-yl]-3-methyl-3,6-dihydro-2H-pyran-6-ol
CID 134939960
(Z,4S,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-11-(oxan-2-yloxy)undec-9-en-1-yn-4-ol
CID 134940816
(3S,6R)-6-[(1E,3S,6R,7E)-6-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyldeca-1,7,9-trienyl]-3-methyloxan-2-ol
CID 134949905
(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
(3Z,5S,6S,7R,8R,9S,11Z,13S,14S,15S,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-17-[(4S,6S)-6-[(Z,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4-methylhept-5-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]-5,7,9,11,13,15-hexamethylheptadeca-1,3,11,16-tetraen-6-ol
CID 139252527
2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol
CID 11453081
(3R,4R,5R,6S,7R,8E,10E,13R,14Z,16E)-4-[tert-butyl(dimethyl)silyl]oxy-15-ethyl-3,5,7,9,13-pentamethyl-17-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]heptadeca-8,10,14,16-tetraen-6-ol
CID 101203637

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-3-enyl]-3-methyloxan-2-ol?
The IUPAC name of (2R,3R,6S)-6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-3-enyl]-3-methyloxan-2-ol (CID 10383794) is (2R,3R,6S)-6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-3-enyl]-3-methyloxan-2-ol.
What is the SMILES notation for (2R,3R,6S)-6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-3-enyl]-3-methyloxan-2-ol?
The canonical SMILES for (2R,3R,6S)-6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-3-enyl]-3-methyloxan-2-ol is CO[C@@H](C[C@@H]1CC[C@@H](C)[C@H](O)O1)/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R,6S)-6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-3-enyl]-3-methyloxan-2-ol?
The InChIKey is XYJBBAJNZOJMID-PYTMWAQOSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-14(11-12-22-24(7,8)19(3,4)5)17(21-6)13-16-10-9-15(2)18(20)23-16/h11,15-18,20H,9-10,12-13H2,1-8H3/b14-11+/t15-,16+,17+,18-/m1/s1.
What are the key properties of (2R,3R,6S)-6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-3-enyl]-3-methyloxan-2-ol?
(2R,3R,6S)-6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-3-enyl]-3-methyloxan-2-ol has a molecular weight of 358.60 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-3-enyl]-3-methyloxan-2-ol is sourced from PubChem (CID 10383794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).