methyl(pent-1-ynyl)silane

C6H12Si — CID 172687235

IUPACmethyl(pent-1-ynyl)silane
SMILESCCCC#C[SiH2]C
InChIInChI=1S/C6H12Si/c1-3-4-5-6-7-2/h3-4,7H2,1-2H3
InChIKeyBEWXIAJKZGHOCT-UHFFFAOYSA-N
MW112.25 g/mol
LogP0.96
Rot. Bonds1

About methyl(pent-1-ynyl)silane

methyl(pent-1-ynyl)silane (PubChem CID 172687235) has the molecular formula C6H12Si and a molecular weight of 112.25 g/mol. Its IUPAC name is methyl(pent-1-ynyl)silane.

Molecular Properties

Compound Namemethyl(pent-1-ynyl)silane
PubChem CID172687235
Molecular FormulaC6H12Si
Molecular Weight112.25 g/mol
Exact Mass112.07
IUPAC Namemethyl(pent-1-ynyl)silane
SMILESCCCC#C[SiH2]C
InChIInChI=1S/C6H12Si/c1-3-4-5-6-7-2/h3-4,7H2,1-2H3
InChIKeyBEWXIAJKZGHOCT-UHFFFAOYSA-N
XLogP0.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.25
LogP ≤ 50.96
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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Related Compounds

propan-1-ol;sulfanide
CID 19710776
lithium hex-2-yne
CID 71319787
1-chlorohept-3-yne
CID 11434969
bis(pent-1-ynyl)phosphane
CID 21096758
tetradeca-4,9-diyne
CID 173328648
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
methyl(pent-1-ynyl)mercury
CID 71319721
1,1-dichlorohex-2-yne
CID 15164826
1-methoxyhept-3-yne
CID 54126530
dodeca-4,7-diyne
CID 173074460
hex-2-ynyl(trimethyl)azanium
CID 71317889

Frequently Asked Questions

What is the IUPAC name of methyl(pent-1-ynyl)silane?
The IUPAC name of methyl(pent-1-ynyl)silane (CID 172687235) is methyl(pent-1-ynyl)silane.
What is the SMILES notation for methyl(pent-1-ynyl)silane?
The canonical SMILES for methyl(pent-1-ynyl)silane is CCCC#C[SiH2]C.
What is the InChIKey of methyl(pent-1-ynyl)silane?
The InChIKey is BEWXIAJKZGHOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Si/c1-3-4-5-6-7-2/h3-4,7H2,1-2H3.
What are the key properties of methyl(pent-1-ynyl)silane?
methyl(pent-1-ynyl)silane has a molecular weight of 112.25 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(pent-1-ynyl)silane is sourced from PubChem (CID 172687235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).