(2S,4R,5S)-2-(methoxymethoxy)-5-methyl-1-[(2S,6R)-6-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]-3,6-dihydro-2H-pyran-2-yl]-7-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]heptan-4-ol

C36H66O6Si — CID 102385542

IUPAC(2S,4R,5S)-2-(methoxymethoxy)-5-methyl-1-[(2S,6R)-6-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]-3,6-dihydro-2H-pyran-2-yl]-7-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]heptan-4-ol
SMILESC=CC[C@H]1C=CC[C@@H](CC[C@H](C)[C@H](O)C[C@@H](C[C@@H]2CC=C[C@H](C(C)(C)CO[Si](C(C)C)(C(C)C)C(C)C)O2)OCOC)O1
InChIInChI=1S/C36H66O6Si/c1-12-15-30-16-13-17-31(41-30)21-20-29(8)34(37)23-33(39-25-38-11)22-32-18-14-19-35(42-32)36(9,10)24-40-43(26(2)3,27(4)5)28(6)7/h12-14,16,19,26-35,37H,1,15,17-18,20-25H2,2-11H3/t29-,30-,31-,32-,33+,34+,35+/m0/s1
InChIKeyMVIUQMRHTUSHGR-TZRZDZKPSA-N
MW623.00 g/mol
LogP8.75
Rot. Bonds20

About (2S,4R,5S)-2-(methoxymethoxy)-5-methyl-1-[(2S,6R)-6-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]-3,6-dihydro-2H-pyran-2-yl]-7-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]heptan-4-ol

(2S,4R,5S)-2-(methoxymethoxy)-5-methyl-1-[(2S,6R)-6-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]-3,6-dihydro-2H-pyran-2-yl]-7-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]heptan-4-ol (PubChem CID 102385542) has the molecular formula C36H66O6Si and a molecular weight of 623.00 g/mol. Its IUPAC name is (2S,4R,5S)-2-(methoxymethoxy)-5-methyl-1-[(2S,6R)-6-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]-3,6-dihydro-2H-pyran-2-yl]-7-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]heptan-4-ol.

Molecular Properties

Compound Name(2S,4R,5S)-2-(methoxymethoxy)-5-methyl-1-[(2S,6R)-6-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]-3,6-dihydro-2H-pyran-2-yl]-7-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]heptan-4-ol
PubChem CID102385542
Molecular FormulaC36H66O6Si
Molecular Weight623.00 g/mol
Exact Mass622.46
IUPAC Name(2S,4R,5S)-2-(methoxymethoxy)-5-methyl-1-[(2S,6R)-6-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]-3,6-dihydro-2H-pyran-2-yl]-7-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]heptan-4-ol
SMILESC=CC[C@H]1C=CC[C@@H](CC[C@H](C)[C@H](O)C[C@@H](C[C@@H]2CC=C[C@H](C(C)(C)CO[Si](C(C)C)(C(C)C)C(C)C)O2)OCOC)O1
InChIInChI=1S/C36H66O6Si/c1-12-15-30-16-13-17-31(41-30)21-20-29(8)34(37)23-33(39-25-38-11)22-32-18-14-19-35(42-32)36(9,10)24-40-43(26(2)3,27(4)5)28(6)7/h12-14,16,19,26-35,37H,1,15,17-18,20-25H2,2-11H3/t29-,30-,31-,32-,33+,34+,35+/m0/s1
InChIKeyMVIUQMRHTUSHGR-TZRZDZKPSA-N
XLogP8.75
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.00
LogP ≤ 58.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,4R,5S)-2-(methoxymethoxy)-5-methyl-1-[(2S,6R)-6-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]-3,6-dihydro-2H-pyran-2-yl]-7-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]heptan-4-ol with MolForge

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Related Compounds

[(3R,6S,7R,9S,11S)-11-[(3R)-4,4-dimethyl-5-tri(propan-2-yl)silyloxypent-1-en-3-yl]oxy-3-[(3R)-hexa-1,5-dien-3-yl]oxy-9-(methoxymethoxy)-6-methyltetradeca-1,13-dien-7-yl]oxy-trimethylsilane
CID 11700500
(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
(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
(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-ol
CID 134836551
(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
(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
2-[(2R,3S,6R,8S,11R)-11-iodo-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol
CID 11467009

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S)-2-(methoxymethoxy)-5-methyl-1-[(2S,6R)-6-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]-3,6-dihydro-2H-pyran-2-yl]-7-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]heptan-4-ol?
The IUPAC name of (2S,4R,5S)-2-(methoxymethoxy)-5-methyl-1-[(2S,6R)-6-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]-3,6-dihydro-2H-pyran-2-yl]-7-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]heptan-4-ol (CID 102385542) is (2S,4R,5S)-2-(methoxymethoxy)-5-methyl-1-[(2S,6R)-6-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]-3,6-dihydro-2H-pyran-2-yl]-7-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]heptan-4-ol.
What is the SMILES notation for (2S,4R,5S)-2-(methoxymethoxy)-5-methyl-1-[(2S,6R)-6-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]-3,6-dihydro-2H-pyran-2-yl]-7-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]heptan-4-ol?
The canonical SMILES for (2S,4R,5S)-2-(methoxymethoxy)-5-methyl-1-[(2S,6R)-6-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]-3,6-dihydro-2H-pyran-2-yl]-7-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]heptan-4-ol is C=CC[C@H]1C=CC[C@@H](CC[C@H](C)[C@H](O)C[C@@H](C[C@@H]2CC=C[C@H](C(C)(C)CO[Si](C(C)C)(C(C)C)C(C)C)O2)OCOC)O1.
What is the InChIKey of (2S,4R,5S)-2-(methoxymethoxy)-5-methyl-1-[(2S,6R)-6-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]-3,6-dihydro-2H-pyran-2-yl]-7-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]heptan-4-ol?
The InChIKey is MVIUQMRHTUSHGR-TZRZDZKPSA-N. The full InChI is InChI=1S/C36H66O6Si/c1-12-15-30-16-13-17-31(41-30)21-20-29(8)34(37)23-33(39-25-38-11)22-32-18-14-19-35(42-32)36(9,10)24-40-43(26(2)3,27(4)5)28(6)7/h12-14,16,19,26-35,37H,1,15,17-18,20-25H2,2-11H3/t29-,30-,31-,32-,33+,34+,35+/m0/s1.
What are the key properties of (2S,4R,5S)-2-(methoxymethoxy)-5-methyl-1-[(2S,6R)-6-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]-3,6-dihydro-2H-pyran-2-yl]-7-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]heptan-4-ol?
(2S,4R,5S)-2-(methoxymethoxy)-5-methyl-1-[(2S,6R)-6-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]-3,6-dihydro-2H-pyran-2-yl]-7-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]heptan-4-ol has a molecular weight of 623.00 g/mol, XLogP of 8.75, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-2-(methoxymethoxy)-5-methyl-1-[(2S,6R)-6-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]-3,6-dihydro-2H-pyran-2-yl]-7-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]heptan-4-ol is sourced from PubChem (CID 102385542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).