[(3S,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[(3R,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane

C47H108O5Si6 — CID 88870222

IUPAC[(3S,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[(3R,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane
SMILESCCCOCCC[C@@](C)([C@@](C)(CC[Si](C)(C)OC[Si](C)(C)CC[C@](C)(C(C)(C)O[Si](C)(C)C)[C@](C)(CCCOCCC)[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C47H108O5Si6/c1-27-35-48-37-29-31-46(9,53(11,12)13)44(7,42(3,4)51-55(17,18)19)33-39-57(23,24)41-50-58(25,26)40-34-45(8,43(5,6)52-56(20,21)22)47(10,54(14,15)16)32-30-38-49-36-28-2/h27-41H2,1-26H3/t44-,45+,46+,47+/m1/s1
InChIKeySRVONMXTLMPGOE-YGNXBQSUSA-N
MW921.89 g/mol
LogP16.12
Rot. Bonds31

About [(3S,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[(3R,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane

[(3S,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[(3R,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane (PubChem CID 88870222) has the molecular formula C47H108O5Si6 and a molecular weight of 921.89 g/mol. Its IUPAC name is [(3S,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[(3R,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Name[(3S,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[(3R,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane
PubChem CID88870222
Molecular FormulaC47H108O5Si6
Molecular Weight921.89 g/mol
Exact Mass920.68
IUPAC Name[(3S,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[(3R,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane
SMILESCCCOCCC[C@@](C)([C@@](C)(CC[Si](C)(C)OC[Si](C)(C)CC[C@](C)(C(C)(C)O[Si](C)(C)C)[C@](C)(CCCOCCC)[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C47H108O5Si6/c1-27-35-48-37-29-31-46(9,53(11,12)13)44(7,42(3,4)51-55(17,18)19)33-39-57(23,24)41-50-58(25,26)40-34-45(8,43(5,6)52-56(20,21)22)47(10,54(14,15)16)32-30-38-49-36-28-2/h27-41H2,1-26H3/t44-,45+,46+,47+/m1/s1
InChIKeySRVONMXTLMPGOE-YGNXBQSUSA-N
XLogP16.12
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds31
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.89
LogP ≤ 516.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(3S,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[(3R,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]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 [(3S,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[(3R,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane?
The IUPAC name of [(3S,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[(3R,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane (CID 88870222) is [(3S,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[(3R,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane.
What is the SMILES notation for [(3S,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[(3R,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane?
The canonical SMILES for [(3S,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[(3R,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane is CCCOCCC[C@@](C)([C@@](C)(CC[Si](C)(C)OC[Si](C)(C)CC[C@](C)(C(C)(C)O[Si](C)(C)C)[C@](C)(CCCOCCC)[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [(3S,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[(3R,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane?
The InChIKey is SRVONMXTLMPGOE-YGNXBQSUSA-N. The full InChI is InChI=1S/C47H108O5Si6/c1-27-35-48-37-29-31-46(9,53(11,12)13)44(7,42(3,4)51-55(17,18)19)33-39-57(23,24)41-50-58(25,26)40-34-45(8,43(5,6)52-56(20,21)22)47(10,54(14,15)16)32-30-38-49-36-28-2/h27-41H2,1-26H3/t44-,45+,46+,47+/m1/s1.
What are the key properties of [(3S,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[(3R,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane?
[(3S,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[(3R,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane has a molecular weight of 921.89 g/mol, XLogP of 16.12, 31 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[(3R,4S)-3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane is sourced from PubChem (CID 88870222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).