(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol

C17H34O2Si — CID 134930947

IUPAC(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol
SMILESC=CC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H34O2Si/c1-7-11-15(18)16(14-12-9-8-10-13-14)19-20(5,6)17(2,3)4/h7,14-16,18H,1,8-13H2,2-6H3/t15-,16-/m1/s1
InChIKeyTUWVYKDZPLGDRH-HZPDHXFCSA-N
MW298.54 g/mol
LogP4.89
Rot. Bonds6

About (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol

(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol (PubChem CID 134930947) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol
PubChem CID134930947
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol
SMILESC=CC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H34O2Si/c1-7-11-15(18)16(14-12-9-8-10-13-14)19-20(5,6)17(2,3)4/h7,14-16,18H,1,8-13H2,2-6H3/t15-,16-/m1/s1
InChIKeyTUWVYKDZPLGDRH-HZPDHXFCSA-N
XLogP4.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.89
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 (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol?
The IUPAC name of (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol (CID 134930947) is (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol.
What is the SMILES notation for (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol?
The canonical SMILES for (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol is C=CC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol?
The InChIKey is TUWVYKDZPLGDRH-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-7-11-15(18)16(14-12-9-8-10-13-14)19-20(5,6)17(2,3)4/h7,14-16,18H,1,8-13H2,2-6H3/t15-,16-/m1/s1.
What are the key properties of (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol?
(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol has a molecular weight of 298.54 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol is sourced from PubChem (CID 134930947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).