(E,4R)-2,4-dimethyl-4-triethylsilyloxyhept-2-en-6-yn-1-ol

C15H28O2Si — CID 125486738

IUPAC(E,4R)-2,4-dimethyl-4-triethylsilyloxyhept-2-en-6-yn-1-ol
SMILESC#CC[C@](C)(/C=C(\C)CO)O[Si](CC)(CC)CC
InChIInChI=1S/C15H28O2Si/c1-7-11-15(6,12-14(5)13-16)17-18(8-2,9-3)10-4/h1,12,16H,8-11,13H2,2-6H3/b14-12+/t15-/m1/s1
InChIKeyMMPJRZFSOLEHTN-OKFGHLOFSA-N
MW268.47 g/mol
LogP3.73
Rot. Bonds8

About (E,4R)-2,4-dimethyl-4-triethylsilyloxyhept-2-en-6-yn-1-ol

(E,4R)-2,4-dimethyl-4-triethylsilyloxyhept-2-en-6-yn-1-ol (PubChem CID 125486738) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (E,4R)-2,4-dimethyl-4-triethylsilyloxyhept-2-en-6-yn-1-ol.

Molecular Properties

Compound Name(E,4R)-2,4-dimethyl-4-triethylsilyloxyhept-2-en-6-yn-1-ol
PubChem CID125486738
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(E,4R)-2,4-dimethyl-4-triethylsilyloxyhept-2-en-6-yn-1-ol
SMILESC#CC[C@](C)(/C=C(\C)CO)O[Si](CC)(CC)CC
InChIInChI=1S/C15H28O2Si/c1-7-11-15(6,12-14(5)13-16)17-18(8-2,9-3)10-4/h1,12,16H,8-11,13H2,2-6H3/b14-12+/t15-/m1/s1
InChIKeyMMPJRZFSOLEHTN-OKFGHLOFSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,4R)-2,4-dimethyl-4-triethylsilyloxyhept-2-en-6-yn-1-ol?
The IUPAC name of (E,4R)-2,4-dimethyl-4-triethylsilyloxyhept-2-en-6-yn-1-ol (CID 125486738) is (E,4R)-2,4-dimethyl-4-triethylsilyloxyhept-2-en-6-yn-1-ol.
What is the SMILES notation for (E,4R)-2,4-dimethyl-4-triethylsilyloxyhept-2-en-6-yn-1-ol?
The canonical SMILES for (E,4R)-2,4-dimethyl-4-triethylsilyloxyhept-2-en-6-yn-1-ol is C#CC[C@](C)(/C=C(\C)CO)O[Si](CC)(CC)CC.
What is the InChIKey of (E,4R)-2,4-dimethyl-4-triethylsilyloxyhept-2-en-6-yn-1-ol?
The InChIKey is MMPJRZFSOLEHTN-OKFGHLOFSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-7-11-15(6,12-14(5)13-16)17-18(8-2,9-3)10-4/h1,12,16H,8-11,13H2,2-6H3/b14-12+/t15-/m1/s1.
What are the key properties of (E,4R)-2,4-dimethyl-4-triethylsilyloxyhept-2-en-6-yn-1-ol?
(E,4R)-2,4-dimethyl-4-triethylsilyloxyhept-2-en-6-yn-1-ol has a molecular weight of 268.47 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-2,4-dimethyl-4-triethylsilyloxyhept-2-en-6-yn-1-ol is sourced from PubChem (CID 125486738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).