(4R)-7-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylhept-1-en-4-ol

C16H36O2Si2 — CID 145294783

IUPAC(4R)-7-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylhept-1-en-4-ol
SMILESC=C(C[C@H](O)CCCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C16H36O2Si2/c1-14(19(5,6)7)13-15(17)11-10-12-18-20(8,9)16(2,3)4/h15,17H,1,10-13H2,2-9H3/t15-/m1/s1
InChIKeyYCBUVNQBVZVSFY-OAHLLOKOSA-N
MW316.63 g/mol
LogP4.97
Rot. Bonds8

About (4R)-7-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylhept-1-en-4-ol

(4R)-7-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylhept-1-en-4-ol (PubChem CID 145294783) has the molecular formula C16H36O2Si2 and a molecular weight of 316.63 g/mol. Its IUPAC name is (4R)-7-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylhept-1-en-4-ol.

Molecular Properties

Compound Name(4R)-7-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylhept-1-en-4-ol
PubChem CID145294783
Molecular FormulaC16H36O2Si2
Molecular Weight316.63 g/mol
Exact Mass316.23
IUPAC Name(4R)-7-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylhept-1-en-4-ol
SMILESC=C(C[C@H](O)CCCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C16H36O2Si2/c1-14(19(5,6)7)13-15(17)11-10-12-18-20(8,9)16(2,3)4/h15,17H,1,10-13H2,2-9H3/t15-/m1/s1
InChIKeyYCBUVNQBVZVSFY-OAHLLOKOSA-N
XLogP4.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (4R)-7-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylhept-1-en-4-ol?
The IUPAC name of (4R)-7-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylhept-1-en-4-ol (CID 145294783) is (4R)-7-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylhept-1-en-4-ol.
What is the SMILES notation for (4R)-7-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylhept-1-en-4-ol?
The canonical SMILES for (4R)-7-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylhept-1-en-4-ol is C=C(C[C@H](O)CCCO[Si](C)(C)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of (4R)-7-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylhept-1-en-4-ol?
The InChIKey is YCBUVNQBVZVSFY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H36O2Si2/c1-14(19(5,6)7)13-15(17)11-10-12-18-20(8,9)16(2,3)4/h15,17H,1,10-13H2,2-9H3/t15-/m1/s1.
What are the key properties of (4R)-7-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylhept-1-en-4-ol?
(4R)-7-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylhept-1-en-4-ol has a molecular weight of 316.63 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylhept-1-en-4-ol is sourced from PubChem (CID 145294783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).