6-methyl-3-propan-2-ylidene-6-triethylsilyloxyhept-4-yn-2-ol

C17H32O2Si — CID 101035752

IUPAC6-methyl-3-propan-2-ylidene-6-triethylsilyloxyhept-4-yn-2-ol
SMILESCC[Si](CC)(CC)OC(C)(C)C#CC(=C(C)C)C(C)O
InChIInChI=1S/C17H32O2Si/c1-9-20(10-2,11-3)19-17(7,8)13-12-16(14(4)5)15(6)18/h15,18H,9-11H2,1-8H3
InChIKeyNUQVWSNEASKCRH-UHFFFAOYSA-N
MW296.53 g/mol
LogP4.51
Rot. Bonds6

About 6-methyl-3-propan-2-ylidene-6-triethylsilyloxyhept-4-yn-2-ol

6-methyl-3-propan-2-ylidene-6-triethylsilyloxyhept-4-yn-2-ol (PubChem CID 101035752) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 6-methyl-3-propan-2-ylidene-6-triethylsilyloxyhept-4-yn-2-ol.

Molecular Properties

Compound Name6-methyl-3-propan-2-ylidene-6-triethylsilyloxyhept-4-yn-2-ol
PubChem CID101035752
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name6-methyl-3-propan-2-ylidene-6-triethylsilyloxyhept-4-yn-2-ol
SMILESCC[Si](CC)(CC)OC(C)(C)C#CC(=C(C)C)C(C)O
InChIInChI=1S/C17H32O2Si/c1-9-20(10-2,11-3)19-17(7,8)13-12-16(14(4)5)15(6)18/h15,18H,9-11H2,1-8H3
InChIKeyNUQVWSNEASKCRH-UHFFFAOYSA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
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 6-methyl-3-propan-2-ylidene-6-triethylsilyloxyhept-4-yn-2-ol?
The IUPAC name of 6-methyl-3-propan-2-ylidene-6-triethylsilyloxyhept-4-yn-2-ol (CID 101035752) is 6-methyl-3-propan-2-ylidene-6-triethylsilyloxyhept-4-yn-2-ol.
What is the SMILES notation for 6-methyl-3-propan-2-ylidene-6-triethylsilyloxyhept-4-yn-2-ol?
The canonical SMILES for 6-methyl-3-propan-2-ylidene-6-triethylsilyloxyhept-4-yn-2-ol is CC[Si](CC)(CC)OC(C)(C)C#CC(=C(C)C)C(C)O.
What is the InChIKey of 6-methyl-3-propan-2-ylidene-6-triethylsilyloxyhept-4-yn-2-ol?
The InChIKey is NUQVWSNEASKCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-9-20(10-2,11-3)19-17(7,8)13-12-16(14(4)5)15(6)18/h15,18H,9-11H2,1-8H3.
What are the key properties of 6-methyl-3-propan-2-ylidene-6-triethylsilyloxyhept-4-yn-2-ol?
6-methyl-3-propan-2-ylidene-6-triethylsilyloxyhept-4-yn-2-ol has a molecular weight of 296.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-ylidene-6-triethylsilyloxyhept-4-yn-2-ol is sourced from PubChem (CID 101035752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).