hept-1-yn-3-yl(trimethyl)silane

C10H20Si — CID 13406629

IUPAChept-1-yn-3-yl(trimethyl)silane
SMILESC#CC(CCCC)[Si](C)(C)C
InChIInChI=1S/C10H20Si/c1-6-8-9-10(7-2)11(3,4)5/h2,10H,6,8-9H2,1,3-5H3
InChIKeyPTJSZYFVAQCUJJ-UHFFFAOYSA-N
MW168.36 g/mol
LogP3.52
Rot. Bonds4

About hept-1-yn-3-yl(trimethyl)silane

hept-1-yn-3-yl(trimethyl)silane (PubChem CID 13406629) has the molecular formula C10H20Si and a molecular weight of 168.36 g/mol. Its IUPAC name is hept-1-yn-3-yl(trimethyl)silane.

Molecular Properties

Compound Namehept-1-yn-3-yl(trimethyl)silane
PubChem CID13406629
Molecular FormulaC10H20Si
Molecular Weight168.36 g/mol
Exact Mass168.13
IUPAC Namehept-1-yn-3-yl(trimethyl)silane
SMILESC#CC(CCCC)[Si](C)(C)C
InChIInChI=1S/C10H20Si/c1-6-8-9-10(7-2)11(3,4)5/h2,10H,6,8-9H2,1,3-5H3
InChIKeyPTJSZYFVAQCUJJ-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 hept-1-yn-3-yl(trimethyl)silane?
The IUPAC name of hept-1-yn-3-yl(trimethyl)silane (CID 13406629) is hept-1-yn-3-yl(trimethyl)silane.
What is the SMILES notation for hept-1-yn-3-yl(trimethyl)silane?
The canonical SMILES for hept-1-yn-3-yl(trimethyl)silane is C#CC(CCCC)[Si](C)(C)C.
What is the InChIKey of hept-1-yn-3-yl(trimethyl)silane?
The InChIKey is PTJSZYFVAQCUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Si/c1-6-8-9-10(7-2)11(3,4)5/h2,10H,6,8-9H2,1,3-5H3.
What are the key properties of hept-1-yn-3-yl(trimethyl)silane?
hept-1-yn-3-yl(trimethyl)silane has a molecular weight of 168.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hept-1-yn-3-yl(trimethyl)silane is sourced from PubChem (CID 13406629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).