tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane

C27H54O5Si2 — CID 134940741

IUPACtert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane
SMILESCC1CCC23CC[C@H](C)[C@H](CO[Si](C(C)C)(C(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)CC1O2)O3
InChIInChI=1S/C27H54O5Si2/c1-19(2)34(20(3)4)29-18-25-22(6)13-15-27(31-25)14-12-21(5)24(30-27)16-23(32-34)17-28-33(10,11)26(7,8)9/h19-25H,12-18H2,1-11H3/t21?,22-,23-,24?,25-,27?/m0/s1
InChIKeyLFYAJKGHLNKWDH-UGUOMBAJSA-N
MW514.90 g/mol
LogP7.40
Rot. Bonds5

About tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane

tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane (PubChem CID 134940741) has the molecular formula C27H54O5Si2 and a molecular weight of 514.90 g/mol. Its IUPAC name is tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane
PubChem CID134940741
Molecular FormulaC27H54O5Si2
Molecular Weight514.90 g/mol
Exact Mass514.35
IUPAC Nametert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane
SMILESCC1CCC23CC[C@H](C)[C@H](CO[Si](C(C)C)(C(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)CC1O2)O3
InChIInChI=1S/C27H54O5Si2/c1-19(2)34(20(3)4)29-18-25-22(6)13-15-27(31-25)14-12-21(5)24(30-27)16-23(32-34)17-28-33(10,11)26(7,8)9/h19-25H,12-18H2,1-11H3/t21?,22-,23-,24?,25-,27?/m0/s1
InChIKeyLFYAJKGHLNKWDH-UGUOMBAJSA-N
XLogP7.40
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.90
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane 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 tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane (CID 134940741) is tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane is CC1CCC23CC[C@H](C)[C@H](CO[Si](C(C)C)(C(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)CC1O2)O3.
What is the InChIKey of tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane?
The InChIKey is LFYAJKGHLNKWDH-UGUOMBAJSA-N. The full InChI is InChI=1S/C27H54O5Si2/c1-19(2)34(20(3)4)29-18-25-22(6)13-15-27(31-25)14-12-21(5)24(30-27)16-23(32-34)17-28-33(10,11)26(7,8)9/h19-25H,12-18H2,1-11H3/t21?,22-,23-,24?,25-,27?/m0/s1.
What are the key properties of tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane?
tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane has a molecular weight of 514.90 g/mol, XLogP of 7.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 134940741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).