7-trimethylsilylhepta-4,6-diyn-2-ol

C10H16OSi — CID 552979

IUPAC7-trimethylsilylhepta-4,6-diyn-2-ol
SMILESCC(O)CC#CC#C[Si](C)(C)C
InChIInChI=1S/C10H16OSi/c1-10(11)8-6-5-7-9-12(2,3)4/h10-11H,8H2,1-4H3
InChIKeyRYISPCMRBATMHO-UHFFFAOYSA-N
MW180.32 g/mol
LogP1.64
Rot. Bonds1

About 7-trimethylsilylhepta-4,6-diyn-2-ol

7-trimethylsilylhepta-4,6-diyn-2-ol (PubChem CID 552979) has the molecular formula C10H16OSi and a molecular weight of 180.32 g/mol. Its IUPAC name is 7-trimethylsilylhepta-4,6-diyn-2-ol.

Molecular Properties

Compound Name7-trimethylsilylhepta-4,6-diyn-2-ol
PubChem CID552979
Molecular FormulaC10H16OSi
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name7-trimethylsilylhepta-4,6-diyn-2-ol
SMILESCC(O)CC#CC#C[Si](C)(C)C
InChIInChI=1S/C10H16OSi/c1-10(11)8-6-5-7-9-12(2,3)4/h10-11H,8H2,1-4H3
InChIKeyRYISPCMRBATMHO-UHFFFAOYSA-N
XLogP1.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 7-trimethylsilylhepta-4,6-diyn-2-ol?
The IUPAC name of 7-trimethylsilylhepta-4,6-diyn-2-ol (CID 552979) is 7-trimethylsilylhepta-4,6-diyn-2-ol.
What is the SMILES notation for 7-trimethylsilylhepta-4,6-diyn-2-ol?
The canonical SMILES for 7-trimethylsilylhepta-4,6-diyn-2-ol is CC(O)CC#CC#C[Si](C)(C)C.
What is the InChIKey of 7-trimethylsilylhepta-4,6-diyn-2-ol?
The InChIKey is RYISPCMRBATMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OSi/c1-10(11)8-6-5-7-9-12(2,3)4/h10-11H,8H2,1-4H3.
What are the key properties of 7-trimethylsilylhepta-4,6-diyn-2-ol?
7-trimethylsilylhepta-4,6-diyn-2-ol has a molecular weight of 180.32 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-trimethylsilylhepta-4,6-diyn-2-ol is sourced from PubChem (CID 552979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).