1-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tris(prop-2-enyl)silylbutan-1-ol

C24H42O6Si — CID 90124293

IUPAC1-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tris(prop-2-enyl)silylbutan-1-ol
SMILESC=CC[Si](CC=C)(CC=C)CCCC(O)[C@H]1OC(C)(C)O[C@H]1[C@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C24H42O6Si/c1-8-13-31(14-9-2,15-10-3)16-11-12-18(25)21-22(30-24(6,7)29-21)20(26)19-17-27-23(4,5)28-19/h8-10,18-22,25-26H,1-3,11-17H2,4-7H3/t18?,19-,20-,21-,22+/m1/s1
InChIKeyPPYORBOJUNSNJW-BHAROJNPSA-N
MW454.68 g/mol
LogP4.17
Rot. Bonds13

About 1-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tris(prop-2-enyl)silylbutan-1-ol

1-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tris(prop-2-enyl)silylbutan-1-ol (PubChem CID 90124293) has the molecular formula C24H42O6Si and a molecular weight of 454.68 g/mol. Its IUPAC name is 1-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tris(prop-2-enyl)silylbutan-1-ol.

Molecular Properties

Compound Name1-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tris(prop-2-enyl)silylbutan-1-ol
PubChem CID90124293
Molecular FormulaC24H42O6Si
Molecular Weight454.68 g/mol
Exact Mass454.28
IUPAC Name1-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tris(prop-2-enyl)silylbutan-1-ol
SMILESC=CC[Si](CC=C)(CC=C)CCCC(O)[C@H]1OC(C)(C)O[C@H]1[C@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C24H42O6Si/c1-8-13-31(14-9-2,15-10-3)16-11-12-18(25)21-22(30-24(6,7)29-21)20(26)19-17-27-23(4,5)28-19/h8-10,18-22,25-26H,1-3,11-17H2,4-7H3/t18?,19-,20-,21-,22+/m1/s1
InChIKeyPPYORBOJUNSNJW-BHAROJNPSA-N
XLogP4.17
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.68
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tris(prop-2-enyl)silylbutan-1-ol?
The IUPAC name of 1-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tris(prop-2-enyl)silylbutan-1-ol (CID 90124293) is 1-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tris(prop-2-enyl)silylbutan-1-ol.
What is the SMILES notation for 1-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tris(prop-2-enyl)silylbutan-1-ol?
The canonical SMILES for 1-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tris(prop-2-enyl)silylbutan-1-ol is C=CC[Si](CC=C)(CC=C)CCCC(O)[C@H]1OC(C)(C)O[C@H]1[C@H](O)[C@H]1COC(C)(C)O1.
What is the InChIKey of 1-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tris(prop-2-enyl)silylbutan-1-ol?
The InChIKey is PPYORBOJUNSNJW-BHAROJNPSA-N. The full InChI is InChI=1S/C24H42O6Si/c1-8-13-31(14-9-2,15-10-3)16-11-12-18(25)21-22(30-24(6,7)29-21)20(26)19-17-27-23(4,5)28-19/h8-10,18-22,25-26H,1-3,11-17H2,4-7H3/t18?,19-,20-,21-,22+/m1/s1.
What are the key properties of 1-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tris(prop-2-enyl)silylbutan-1-ol?
1-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tris(prop-2-enyl)silylbutan-1-ol has a molecular weight of 454.68 g/mol, XLogP of 4.17, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tris(prop-2-enyl)silylbutan-1-ol is sourced from PubChem (CID 90124293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).