(3aS,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol

C14H26O4Si — CID 102493003

IUPAC(3aS,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol
SMILESCOC1C[C@@]2(O)CC=C(O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C14H26O4Si/c1-13(2,3)19(5,6)18-10-7-8-14(15)9-11(16-4)17-12(10)14/h7,11-12,15H,8-9H2,1-6H3/t11?,12-,14+/m1/s1
InChIKeyKTEMDEZRCLNAPT-AOUZGSJDSA-N
MW286.44 g/mol
LogP2.79
Rot. Bonds3

About (3aS,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol

(3aS,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol (PubChem CID 102493003) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is (3aS,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol.

Molecular Properties

Compound Name(3aS,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol
PubChem CID102493003
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name(3aS,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol
SMILESCOC1C[C@@]2(O)CC=C(O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C14H26O4Si/c1-13(2,3)19(5,6)18-10-7-8-14(15)9-11(16-4)17-12(10)14/h7,11-12,15H,8-9H2,1-6H3/t11?,12-,14+/m1/s1
InChIKeyKTEMDEZRCLNAPT-AOUZGSJDSA-N
XLogP2.79
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol?
The IUPAC name of (3aS,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol (CID 102493003) is (3aS,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol.
What is the SMILES notation for (3aS,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol?
The canonical SMILES for (3aS,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol is COC1C[C@@]2(O)CC=C(O[Si](C)(C)C(C)(C)C)[C@H]2O1.
What is the InChIKey of (3aS,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol?
The InChIKey is KTEMDEZRCLNAPT-AOUZGSJDSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-13(2,3)19(5,6)18-10-7-8-14(15)9-11(16-4)17-12(10)14/h7,11-12,15H,8-9H2,1-6H3/t11?,12-,14+/m1/s1.
What are the key properties of (3aS,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol?
(3aS,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol has a molecular weight of 286.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol is sourced from PubChem (CID 102493003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).