3-[(2R,3S,4aR,6R,8S,8aR)-2-methyl-3-prop-2-enoxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propan-1-ol

C36H72O6Si2 — CID 11814362

IUPAC3-[(2R,3S,4aR,6R,8S,8aR)-2-methyl-3-prop-2-enoxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propan-1-ol
SMILESC=CCO[C@H]1C[C@H]2O[C@H](CCCO[Si](C(C)C)(C(C)C)C(C)C)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2O[C@]1(C)CCCO
InChIInChI=1S/C36H72O6Si2/c1-15-21-38-34-24-32-35(41-36(34,14)19-17-20-37)33(42-44(28(8)9,29(10)11)30(12)13)23-31(40-32)18-16-22-39-43(25(2)3,26(4)5)27(6)7/h15,25-35,37H,1,16-24H2,2-14H3/t31-,32-,33+,34+,35-,36-/m1/s1
InChIKeyPWEDSLSMWDEEAZ-YCRUICEYSA-N
MW657.14 g/mol
LogP9.57
Rot. Bonds19

About 3-[(2R,3S,4aR,6R,8S,8aR)-2-methyl-3-prop-2-enoxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propan-1-ol

3-[(2R,3S,4aR,6R,8S,8aR)-2-methyl-3-prop-2-enoxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propan-1-ol (PubChem CID 11814362) has the molecular formula C36H72O6Si2 and a molecular weight of 657.14 g/mol. Its IUPAC name is 3-[(2R,3S,4aR,6R,8S,8aR)-2-methyl-3-prop-2-enoxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2R,3S,4aR,6R,8S,8aR)-2-methyl-3-prop-2-enoxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propan-1-ol
PubChem CID11814362
Molecular FormulaC36H72O6Si2
Molecular Weight657.14 g/mol
Exact Mass656.49
IUPAC Name3-[(2R,3S,4aR,6R,8S,8aR)-2-methyl-3-prop-2-enoxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propan-1-ol
SMILESC=CCO[C@H]1C[C@H]2O[C@H](CCCO[Si](C(C)C)(C(C)C)C(C)C)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2O[C@]1(C)CCCO
InChIInChI=1S/C36H72O6Si2/c1-15-21-38-34-24-32-35(41-36(34,14)19-17-20-37)33(42-44(28(8)9,29(10)11)30(12)13)23-31(40-32)18-16-22-39-43(25(2)3,26(4)5)27(6)7/h15,25-35,37H,1,16-24H2,2-14H3/t31-,32-,33+,34+,35-,36-/m1/s1
InChIKeyPWEDSLSMWDEEAZ-YCRUICEYSA-N
XLogP9.57
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.14
LogP ≤ 59.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(2R,3S,4aR,6R,8S,8aR)-2-methyl-3-prop-2-enoxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S,4aR,6R,8S,8aR)-2-methyl-3-prop-2-enoxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propan-1-ol?
The IUPAC name of 3-[(2R,3S,4aR,6R,8S,8aR)-2-methyl-3-prop-2-enoxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propan-1-ol (CID 11814362) is 3-[(2R,3S,4aR,6R,8S,8aR)-2-methyl-3-prop-2-enoxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2R,3S,4aR,6R,8S,8aR)-2-methyl-3-prop-2-enoxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2R,3S,4aR,6R,8S,8aR)-2-methyl-3-prop-2-enoxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propan-1-ol is C=CCO[C@H]1C[C@H]2O[C@H](CCCO[Si](C(C)C)(C(C)C)C(C)C)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2O[C@]1(C)CCCO.
What is the InChIKey of 3-[(2R,3S,4aR,6R,8S,8aR)-2-methyl-3-prop-2-enoxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propan-1-ol?
The InChIKey is PWEDSLSMWDEEAZ-YCRUICEYSA-N. The full InChI is InChI=1S/C36H72O6Si2/c1-15-21-38-34-24-32-35(41-36(34,14)19-17-20-37)33(42-44(28(8)9,29(10)11)30(12)13)23-31(40-32)18-16-22-39-43(25(2)3,26(4)5)27(6)7/h15,25-35,37H,1,16-24H2,2-14H3/t31-,32-,33+,34+,35-,36-/m1/s1.
What are the key properties of 3-[(2R,3S,4aR,6R,8S,8aR)-2-methyl-3-prop-2-enoxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propan-1-ol?
3-[(2R,3S,4aR,6R,8S,8aR)-2-methyl-3-prop-2-enoxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propan-1-ol has a molecular weight of 657.14 g/mol, XLogP of 9.57, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S,4aR,6R,8S,8aR)-2-methyl-3-prop-2-enoxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propan-1-ol is sourced from PubChem (CID 11814362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).