(E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol

C20H40O2Si — CID 11858811

IUPAC(E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol
SMILESC[C@@H](/C=C/C1CCCCC1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C20H40O2Si/c1-16(13-14-18-11-9-8-10-12-18)19(17(2)15-21)22-23(6,7)20(3,4)5/h13-14,16-19,21H,8-12,15H2,1-7H3/b14-13+/t16-,17-,19+/m0/s1
InChIKeyAFWZMJCUHOAPML-MWERVGROSA-N
MW340.62 g/mol
LogP5.78
Rot. Bonds7

About (E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol

(E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol (PubChem CID 11858811) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is (E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol.

Molecular Properties

Compound Name(E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol
PubChem CID11858811
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Name(E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol
SMILESC[C@@H](/C=C/C1CCCCC1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C20H40O2Si/c1-16(13-14-18-11-9-8-10-12-18)19(17(2)15-21)22-23(6,7)20(3,4)5/h13-14,16-19,21H,8-12,15H2,1-7H3/b14-13+/t16-,17-,19+/m0/s1
InChIKeyAFWZMJCUHOAPML-MWERVGROSA-N
XLogP5.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol?
The IUPAC name of (E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol (CID 11858811) is (E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol.
What is the SMILES notation for (E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol?
The canonical SMILES for (E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol is C[C@@H](/C=C/C1CCCCC1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO.
What is the InChIKey of (E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol?
The InChIKey is AFWZMJCUHOAPML-MWERVGROSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-16(13-14-18-11-9-8-10-12-18)19(17(2)15-21)22-23(6,7)20(3,4)5/h13-14,16-19,21H,8-12,15H2,1-7H3/b14-13+/t16-,17-,19+/m0/s1.
What are the key properties of (E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol?
(E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol has a molecular weight of 340.62 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol is sourced from PubChem (CID 11858811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).