(4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-1-ol

C21H42O4Si — CID 11383620

IUPAC(4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-1-ol
SMILESC[C@H](CCCO)[C@H]1OC(C)(C)O[C@@H]1C/C=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O4Si/c1-17(13-12-15-22)19-18(24-21(5,6)25-19)14-10-9-11-16-23-26(7,8)20(2,3)4/h9-10,17-19,22H,11-16H2,1-8H3/b10-9-/t17-,18-,19-/m1/s1
InChIKeyONQQNTAPHGUQOU-FMABSTRRSA-N
MW386.65 g/mol
LogP5.27
Rot. Bonds10

About (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-1-ol

(4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-1-ol (PubChem CID 11383620) has the molecular formula C21H42O4Si and a molecular weight of 386.65 g/mol. Its IUPAC name is (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-1-ol.

Molecular Properties

Compound Name(4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-1-ol
PubChem CID11383620
Molecular FormulaC21H42O4Si
Molecular Weight386.65 g/mol
Exact Mass386.29
IUPAC Name(4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-1-ol
SMILESC[C@H](CCCO)[C@H]1OC(C)(C)O[C@@H]1C/C=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O4Si/c1-17(13-12-15-22)19-18(24-21(5,6)25-19)14-10-9-11-16-23-26(7,8)20(2,3)4/h9-10,17-19,22H,11-16H2,1-8H3/b10-9-/t17-,18-,19-/m1/s1
InChIKeyONQQNTAPHGUQOU-FMABSTRRSA-N
XLogP5.27
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-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 (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-1-ol?
The IUPAC name of (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-1-ol (CID 11383620) is (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-1-ol.
What is the SMILES notation for (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-1-ol?
The canonical SMILES for (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-1-ol is C[C@H](CCCO)[C@H]1OC(C)(C)O[C@@H]1C/C=C\CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-1-ol?
The InChIKey is ONQQNTAPHGUQOU-FMABSTRRSA-N. The full InChI is InChI=1S/C21H42O4Si/c1-17(13-12-15-22)19-18(24-21(5,6)25-19)14-10-9-11-16-23-26(7,8)20(2,3)4/h9-10,17-19,22H,11-16H2,1-8H3/b10-9-/t17-,18-,19-/m1/s1.
What are the key properties of (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-1-ol?
(4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-1-ol has a molecular weight of 386.65 g/mol, XLogP of 5.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(4R,5R)-5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-1-ol is sourced from PubChem (CID 11383620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).