(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol

C18H34O3Si — CID 11427375

IUPAC(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1(O)C=C[C@H](OC(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-10-12-18(19)13-11-14(20-16(2,3)4)15(18)21-22(8,9)17(5,6)7/h10-11,13-15,19H,1,12H2,2-9H3/t14-,15+,18?/m0/s1
InChIKeyZSRIMHMJTQMRGM-DYNVDGSKSA-N
MW326.55 g/mol
LogP4.44
Rot. Bonds5

About (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol

(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol (PubChem CID 11427375) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol
PubChem CID11427375
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1(O)C=C[C@H](OC(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-10-12-18(19)13-11-14(20-16(2,3)4)15(18)21-22(8,9)17(5,6)7/h10-11,13-15,19H,1,12H2,2-9H3/t14-,15+,18?/m0/s1
InChIKeyZSRIMHMJTQMRGM-DYNVDGSKSA-N
XLogP4.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol 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 (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol?
The IUPAC name of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol (CID 11427375) is (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol.
What is the SMILES notation for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol?
The canonical SMILES for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol is C=CCC1(O)C=C[C@H](OC(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol?
The InChIKey is ZSRIMHMJTQMRGM-DYNVDGSKSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-10-12-18(19)13-11-14(20-16(2,3)4)15(18)21-22(8,9)17(5,6)7/h10-11,13-15,19H,1,12H2,2-9H3/t14-,15+,18?/m0/s1.
What are the key properties of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol?
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol has a molecular weight of 326.55 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol is sourced from PubChem (CID 11427375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).