[4,4-bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane

C17H32O2Si2 — CID 10860337

IUPAC[4,4-bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane
SMILESCOCC(CC#C[Si](C)(C)C)(CC#C[Si](C)(C)C)COC
InChIInChI=1S/C17H32O2Si2/c1-18-15-17(16-19-2,11-9-13-20(3,4)5)12-10-14-21(6,7)8/h11-12,15-16H2,1-8H3
InChIKeyRVJXKBHDQAKXRP-UHFFFAOYSA-N
MW324.61 g/mol
LogP3.81
Rot. Bonds6

About [4,4-bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane

[4,4-bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane (PubChem CID 10860337) has the molecular formula C17H32O2Si2 and a molecular weight of 324.61 g/mol. Its IUPAC name is [4,4-bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[4,4-bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane
PubChem CID10860337
Molecular FormulaC17H32O2Si2
Molecular Weight324.61 g/mol
Exact Mass324.19
IUPAC Name[4,4-bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane
SMILESCOCC(CC#C[Si](C)(C)C)(CC#C[Si](C)(C)C)COC
InChIInChI=1S/C17H32O2Si2/c1-18-15-17(16-19-2,11-9-13-20(3,4)5)12-10-14-21(6,7)8/h11-12,15-16H2,1-8H3
InChIKeyRVJXKBHDQAKXRP-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4,4-bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane?
The IUPAC name of [4,4-bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane (CID 10860337) is [4,4-bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane.
What is the SMILES notation for [4,4-bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane?
The canonical SMILES for [4,4-bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane is COCC(CC#C[Si](C)(C)C)(CC#C[Si](C)(C)C)COC.
What is the InChIKey of [4,4-bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane?
The InChIKey is RVJXKBHDQAKXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si2/c1-18-15-17(16-19-2,11-9-13-20(3,4)5)12-10-14-21(6,7)8/h11-12,15-16H2,1-8H3.
What are the key properties of [4,4-bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane?
[4,4-bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane has a molecular weight of 324.61 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane is sourced from PubChem (CID 10860337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).