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

C47H108O5Si6 — CID 89019351

IUPAC[3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane
SMILESCCCOCCCC(C)(C(C)(CC[Si](C)(C)CO[Si](C)(C)CCC(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
InChIKeySRVONMXTLMPGOE-UHFFFAOYSA-N
MW921.89 g/mol
LogP16.12
Rot. Bonds31

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

[3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane (PubChem CID 89019351) has the molecular formula C47H108O5Si6 and a molecular weight of 921.89 g/mol. Its IUPAC name is [3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Name[3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane
PubChem CID89019351
Molecular FormulaC47H108O5Si6
Molecular Weight921.89 g/mol
Exact Mass920.68
IUPAC Name[3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane
SMILESCCCOCCCC(C)(C(C)(CC[Si](C)(C)CO[Si](C)(C)CCC(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
InChIKeySRVONMXTLMPGOE-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of [3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane?
The IUPAC name of [3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane (CID 89019351) is [3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane.
What is the SMILES notation for [3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane?
The canonical SMILES for [3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane is CCCOCCCC(C)(C(C)(CC[Si](C)(C)CO[Si](C)(C)CCC(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 [3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane?
The InChIKey is SRVONMXTLMPGOE-UHFFFAOYSA-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.
What are the key properties of [3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane?
[3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[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 [3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-[[[3,4-dimethyl-7-propoxy-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)heptyl]-dimethylsilyl]methoxy]-dimethylsilane is sourced from PubChem (CID 89019351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).