(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-ol

C17H34O2Si — CID 135050234

IUPAC(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-ol
SMILESC/C=C(\O)[C@@](C)(O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H34O2Si/c1-8-15(18)17(5,14-12-10-9-11-13-14)19-20(6,7)16(2,3)4/h8,14,18H,9-13H2,1-7H3/b15-8-/t17-/m0/s1
InChIKeyHZCPQMUKARJRAC-KCPLEYNQSA-N
MW298.54 g/mol
LogP5.81
Rot. Bonds4

About (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-ol

(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-ol (PubChem CID 135050234) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-ol.

Molecular Properties

Compound Name(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-ol
PubChem CID135050234
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-ol
SMILESC/C=C(\O)[C@@](C)(O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H34O2Si/c1-8-15(18)17(5,14-12-10-9-11-13-14)19-20(6,7)16(2,3)4/h8,14,18H,9-13H2,1-7H3/b15-8-/t17-/m0/s1
InChIKeyHZCPQMUKARJRAC-KCPLEYNQSA-N
XLogP5.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Cyclohexyl-7-methyl-2-trimethylsilylocta-1,6-dien-3-ol
CID 135049604
lithium (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-olate
CID 135050233
(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol
CID 170702889
(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol
CID 170703011
(Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-ol
CID 134846365

Frequently Asked Questions

What is the IUPAC name of (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-ol?
The IUPAC name of (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-ol (CID 135050234) is (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-ol.
What is the SMILES notation for (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-ol?
The canonical SMILES for (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-ol is C/C=C(\O)[C@@](C)(O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-ol?
The InChIKey is HZCPQMUKARJRAC-KCPLEYNQSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-8-15(18)17(5,14-12-10-9-11-13-14)19-20(6,7)16(2,3)4/h8,14,18H,9-13H2,1-7H3/b15-8-/t17-/m0/s1.
What are the key properties of (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-ol?
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-ol has a molecular weight of 298.54 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylpent-2-en-3-ol is sourced from PubChem (CID 135050234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).