(3aR,5R,6R,6aS)-6-methoxy-5-tri(propan-2-yl)silyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

C17H34O4Si — CID 15214096

IUPAC(3aR,5R,6R,6aS)-6-methoxy-5-tri(propan-2-yl)silyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCO[C@@H]1[C@H]2OC(O)C[C@H]2C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O4Si/c1-10(2)22(11(3)4,12(5)6)21-14-8-13-9-15(18)20-16(13)17(14)19-7/h10-18H,8-9H2,1-7H3/t13-,14-,15?,16+,17+/m1/s1
InChIKeyPVFWYBXERRXPRV-ZZHMGZFRSA-N
MW330.54 g/mol
LogP3.69
Rot. Bonds6

About (3aR,5R,6R,6aS)-6-methoxy-5-tri(propan-2-yl)silyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

(3aR,5R,6R,6aS)-6-methoxy-5-tri(propan-2-yl)silyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 15214096) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (3aR,5R,6R,6aS)-6-methoxy-5-tri(propan-2-yl)silyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name(3aR,5R,6R,6aS)-6-methoxy-5-tri(propan-2-yl)silyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID15214096
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name(3aR,5R,6R,6aS)-6-methoxy-5-tri(propan-2-yl)silyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCO[C@@H]1[C@H]2OC(O)C[C@H]2C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O4Si/c1-10(2)22(11(3)4,12(5)6)21-14-8-13-9-15(18)20-16(13)17(14)19-7/h10-18H,8-9H2,1-7H3/t13-,14-,15?,16+,17+/m1/s1
InChIKeyPVFWYBXERRXPRV-ZZHMGZFRSA-N
XLogP3.69
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3aR,5R,6R,6aS)-6-methoxy-5-tri(propan-2-yl)silyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6R,6aS)-6-methoxy-5-tri(propan-2-yl)silyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of (3aR,5R,6R,6aS)-6-methoxy-5-tri(propan-2-yl)silyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (CID 15214096) is (3aR,5R,6R,6aS)-6-methoxy-5-tri(propan-2-yl)silyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for (3aR,5R,6R,6aS)-6-methoxy-5-tri(propan-2-yl)silyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for (3aR,5R,6R,6aS)-6-methoxy-5-tri(propan-2-yl)silyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is CO[C@@H]1[C@H]2OC(O)C[C@H]2C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3aR,5R,6R,6aS)-6-methoxy-5-tri(propan-2-yl)silyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is PVFWYBXERRXPRV-ZZHMGZFRSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-10(2)22(11(3)4,12(5)6)21-14-8-13-9-15(18)20-16(13)17(14)19-7/h10-18H,8-9H2,1-7H3/t13-,14-,15?,16+,17+/m1/s1.
What are the key properties of (3aR,5R,6R,6aS)-6-methoxy-5-tri(propan-2-yl)silyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
(3aR,5R,6R,6aS)-6-methoxy-5-tri(propan-2-yl)silyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 330.54 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6R,6aS)-6-methoxy-5-tri(propan-2-yl)silyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 15214096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).