(1S,3R,4R,5S,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4-dimethylbicyclo[3.2.0]heptan-3-ol

C17H34O2Si — CID 11077397

IUPAC(1S,3R,4R,5S,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4-dimethylbicyclo[3.2.0]heptan-3-ol
SMILESCC(C)C(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(C)C[C@@H](O)[C@H](C)[C@H]12
InChIInChI=1S/C17H34O2Si/c1-11(2)16(4,5)20(7,8)19-14-10-17(6)9-13(18)12(3)15(14)17/h11-15,18H,9-10H2,1-8H3/t12-,13+,14+,15+,17-/m0/s1
InChIKeySUNYVKVRBNBQAQ-GHYKFQNRSA-N
MW298.54 g/mol
LogP4.44
Rot. Bonds4

About (1S,3R,4R,5S,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4-dimethylbicyclo[3.2.0]heptan-3-ol

(1S,3R,4R,5S,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4-dimethylbicyclo[3.2.0]heptan-3-ol (PubChem CID 11077397) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (1S,3R,4R,5S,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4-dimethylbicyclo[3.2.0]heptan-3-ol.

Molecular Properties

Compound Name(1S,3R,4R,5S,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4-dimethylbicyclo[3.2.0]heptan-3-ol
PubChem CID11077397
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(1S,3R,4R,5S,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4-dimethylbicyclo[3.2.0]heptan-3-ol
SMILESCC(C)C(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(C)C[C@@H](O)[C@H](C)[C@H]12
InChIInChI=1S/C17H34O2Si/c1-11(2)16(4,5)20(7,8)19-14-10-17(6)9-13(18)12(3)15(14)17/h11-15,18H,9-10H2,1-8H3/t12-,13+,14+,15+,17-/m0/s1
InChIKeySUNYVKVRBNBQAQ-GHYKFQNRSA-N
XLogP4.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1S,3R,4R,5S,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4-dimethylbicyclo[3.2.0]heptan-3-ol?
The IUPAC name of (1S,3R,4R,5S,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4-dimethylbicyclo[3.2.0]heptan-3-ol (CID 11077397) is (1S,3R,4R,5S,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4-dimethylbicyclo[3.2.0]heptan-3-ol.
What is the SMILES notation for (1S,3R,4R,5S,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4-dimethylbicyclo[3.2.0]heptan-3-ol?
The canonical SMILES for (1S,3R,4R,5S,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4-dimethylbicyclo[3.2.0]heptan-3-ol is CC(C)C(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(C)C[C@@H](O)[C@H](C)[C@H]12.
What is the InChIKey of (1S,3R,4R,5S,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4-dimethylbicyclo[3.2.0]heptan-3-ol?
The InChIKey is SUNYVKVRBNBQAQ-GHYKFQNRSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-11(2)16(4,5)20(7,8)19-14-10-17(6)9-13(18)12(3)15(14)17/h11-15,18H,9-10H2,1-8H3/t12-,13+,14+,15+,17-/m0/s1.
What are the key properties of (1S,3R,4R,5S,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4-dimethylbicyclo[3.2.0]heptan-3-ol?
(1S,3R,4R,5S,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4-dimethylbicyclo[3.2.0]heptan-3-ol has a molecular weight of 298.54 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R,5S,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4-dimethylbicyclo[3.2.0]heptan-3-ol is sourced from PubChem (CID 11077397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).