(1R,4S,5R)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-1,5-dihydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one

C14H26O5Si — CID 18717582

IUPAC(1R,4S,5R)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-1,5-dihydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one
SMILESCC1(C)[C@]2(O)C(=O)O[C@H](C(O)[Si](C)(C)C(C)(C)C)[C@]12O
InChIInChI=1S/C14H26O5Si/c1-11(2,3)20(6,7)9(15)8-13(17)12(4,5)14(13,18)10(16)19-8/h8-9,15,17-18H,1-7H3/t8-,9?,13+,14-/m1/s1
InChIKeyDJUUSKUAKOLEJE-JJESNCTFSA-N
MW302.44 g/mol
LogP0.82
Rot. Bonds2

About (1R,4S,5R)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-1,5-dihydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one

(1R,4S,5R)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-1,5-dihydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one (PubChem CID 18717582) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is (1R,4S,5R)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-1,5-dihydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1R,4S,5R)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-1,5-dihydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one
PubChem CID18717582
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name(1R,4S,5R)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-1,5-dihydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one
SMILESCC1(C)[C@]2(O)C(=O)O[C@H](C(O)[Si](C)(C)C(C)(C)C)[C@]12O
InChIInChI=1S/C14H26O5Si/c1-11(2,3)20(6,7)9(15)8-13(17)12(4,5)14(13,18)10(16)19-8/h8-9,15,17-18H,1-7H3/t8-,9?,13+,14-/m1/s1
InChIKeyDJUUSKUAKOLEJE-JJESNCTFSA-N
XLogP0.82
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,4S,5R)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-1,5-dihydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one 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 (1R,4S,5R)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-1,5-dihydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1R,4S,5R)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-1,5-dihydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one (CID 18717582) is (1R,4S,5R)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-1,5-dihydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1R,4S,5R)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-1,5-dihydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1R,4S,5R)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-1,5-dihydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one is CC1(C)[C@]2(O)C(=O)O[C@H](C(O)[Si](C)(C)C(C)(C)C)[C@]12O.
What is the InChIKey of (1R,4S,5R)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-1,5-dihydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one?
The InChIKey is DJUUSKUAKOLEJE-JJESNCTFSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-11(2,3)20(6,7)9(15)8-13(17)12(4,5)14(13,18)10(16)19-8/h8-9,15,17-18H,1-7H3/t8-,9?,13+,14-/m1/s1.
What are the key properties of (1R,4S,5R)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-1,5-dihydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one?
(1R,4S,5R)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-1,5-dihydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one has a molecular weight of 302.44 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R)-4-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-1,5-dihydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 18717582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).