4,6-dimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol

C12H22OSi — CID 10058971

IUPAC4,6-dimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol
SMILESCC(C)=CC(C)(O)CC#C[Si](C)(C)C
InChIInChI=1S/C12H22OSi/c1-11(2)10-12(3,13)8-7-9-14(4,5)6/h10,13H,8H2,1-6H3
InChIKeyDECAHXXDZNDPHA-UHFFFAOYSA-N
MW210.39 g/mol
LogP2.97
Rot. Bonds2

About 4,6-dimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol

4,6-dimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol (PubChem CID 10058971) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is 4,6-dimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol.

Molecular Properties

Compound Name4,6-dimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol
PubChem CID10058971
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name4,6-dimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol
SMILESCC(C)=CC(C)(O)CC#C[Si](C)(C)C
InChIInChI=1S/C12H22OSi/c1-11(2)10-12(3,13)8-7-9-14(4,5)6/h10,13H,8H2,1-6H3
InChIKeyDECAHXXDZNDPHA-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4,6-dimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol?
The IUPAC name of 4,6-dimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol (CID 10058971) is 4,6-dimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol.
What is the SMILES notation for 4,6-dimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol?
The canonical SMILES for 4,6-dimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol is CC(C)=CC(C)(O)CC#C[Si](C)(C)C.
What is the InChIKey of 4,6-dimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol?
The InChIKey is DECAHXXDZNDPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-11(2)10-12(3,13)8-7-9-14(4,5)6/h10,13H,8H2,1-6H3.
What are the key properties of 4,6-dimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol?
4,6-dimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol has a molecular weight of 210.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol is sourced from PubChem (CID 10058971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).