(2R)-1-[(4R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-ol

C34H68O4Si — CID 56969684

IUPAC(2R)-1-[(4R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-ol
SMILESC=CC[C@@H](O)C[C@@H]1C[C@H](CC[C@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C34H68O4Si/c1-10-12-13-14-15-16-17-18-19-20-21-22-24-30(38-39(8,9)33(3,4)5)25-26-31-28-32(27-29(35)23-11-2)37-34(6,7)36-31/h11,29-32,35H,2,10,12-28H2,1,3-9H3/t29-,30+,31+,32-/m1/s1
InChIKeyZSERFMAOKKKRNA-OKDNLZPVSA-N
MW569.00 g/mol
LogP10.49
Rot. Bonds22

About (2R)-1-[(4R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-ol

(2R)-1-[(4R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-ol (PubChem CID 56969684) has the molecular formula C34H68O4Si and a molecular weight of 569.00 g/mol. Its IUPAC name is (2R)-1-[(4R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-ol
PubChem CID56969684
Molecular FormulaC34H68O4Si
Molecular Weight569.00 g/mol
Exact Mass568.49
IUPAC Name(2R)-1-[(4R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-ol
SMILESC=CC[C@@H](O)C[C@@H]1C[C@H](CC[C@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C34H68O4Si/c1-10-12-13-14-15-16-17-18-19-20-21-22-24-30(38-39(8,9)33(3,4)5)25-26-31-28-32(27-29(35)23-11-2)37-34(6,7)36-31/h11,29-32,35H,2,10,12-28H2,1,3-9H3/t29-,30+,31+,32-/m1/s1
InChIKeyZSERFMAOKKKRNA-OKDNLZPVSA-N
XLogP10.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.00
LogP ≤ 510.49
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 (2R)-1-[(4R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-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 (2R)-1-[(4R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-ol?
The IUPAC name of (2R)-1-[(4R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-ol (CID 56969684) is (2R)-1-[(4R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-ol.
What is the SMILES notation for (2R)-1-[(4R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-ol?
The canonical SMILES for (2R)-1-[(4R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-ol is C=CC[C@@H](O)C[C@@H]1C[C@H](CC[C@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)OC(C)(C)O1.
What is the InChIKey of (2R)-1-[(4R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-ol?
The InChIKey is ZSERFMAOKKKRNA-OKDNLZPVSA-N. The full InChI is InChI=1S/C34H68O4Si/c1-10-12-13-14-15-16-17-18-19-20-21-22-24-30(38-39(8,9)33(3,4)5)25-26-31-28-32(27-29(35)23-11-2)37-34(6,7)36-31/h11,29-32,35H,2,10,12-28H2,1,3-9H3/t29-,30+,31+,32-/m1/s1.
What are the key properties of (2R)-1-[(4R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-ol?
(2R)-1-[(4R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-ol has a molecular weight of 569.00 g/mol, XLogP of 10.49, 22 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4R,6S)-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-ol is sourced from PubChem (CID 56969684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).