(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol

C16H34O3Si — CID 14525995

IUPAC(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
SMILESC/C(=C\[C@@H](C)CO)[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-12(10-17)9-13(2)15(18)14(3)11-19-20(7,8)16(4,5)6/h9,12,14-15,17-18H,10-11H2,1-8H3/b13-9+/t12-,14+,15+/m1/s1
InChIKeyKVEMTAVERMIFNE-VFUFOIOTSA-N
MW302.53 g/mol
LogP3.58
Rot. Bonds7

About (E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol

(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol (PubChem CID 14525995) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is (E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol.

Molecular Properties

Compound Name(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
PubChem CID14525995
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
SMILESC/C(=C\[C@@H](C)CO)[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-12(10-17)9-13(2)15(18)14(3)11-19-20(7,8)16(4,5)6/h9,12,14-15,17-18H,10-11H2,1-8H3/b13-9+/t12-,14+,15+/m1/s1
InChIKeyKVEMTAVERMIFNE-VFUFOIOTSA-N
XLogP3.58
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol 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 (E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol?
The IUPAC name of (E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol (CID 14525995) is (E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol.
What is the SMILES notation for (E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol?
The canonical SMILES for (E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol is C/C(=C\[C@@H](C)CO)[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol?
The InChIKey is KVEMTAVERMIFNE-VFUFOIOTSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-12(10-17)9-13(2)15(18)14(3)11-19-20(7,8)16(4,5)6/h9,12,14-15,17-18H,10-11H2,1-8H3/b13-9+/t12-,14+,15+/m1/s1.
What are the key properties of (E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol?
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol has a molecular weight of 302.53 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol is sourced from PubChem (CID 14525995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).