butyl-diethynyl-methylsilane

C9H14Si — CID 139796020

IUPACbutyl-diethynyl-methylsilane
SMILESC#C[Si](C)(C#C)CCCC
InChIInChI=1S/C9H14Si/c1-5-8-9-10(4,6-2)7-3/h2-3H,5,8-9H2,1,4H3
InChIKeyUHTWJWFXWRQQLE-UHFFFAOYSA-N
MW150.30 g/mol
LogP2.21
Rot. Bonds3

About butyl-diethynyl-methylsilane

butyl-diethynyl-methylsilane (PubChem CID 139796020) has the molecular formula C9H14Si and a molecular weight of 150.30 g/mol. Its IUPAC name is butyl-diethynyl-methylsilane.

Molecular Properties

Compound Namebutyl-diethynyl-methylsilane
PubChem CID139796020
Molecular FormulaC9H14Si
Molecular Weight150.30 g/mol
Exact Mass150.09
IUPAC Namebutyl-diethynyl-methylsilane
SMILESC#C[Si](C)(C#C)CCCC
InChIInChI=1S/C9H14Si/c1-5-8-9-10(4,6-2)7-3/h2-3H,5,8-9H2,1,4H3
InChIKeyUHTWJWFXWRQQLE-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.30
LogP ≤ 52.21
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

diethynyl-di(tridecyl)silane
CID 139653435
triethynyl(heptyl)silane
CID 139653432
butyl-dimethyl-prop-2-ynoxysilane
CID 87110652
N-[dimethyl(pentyl)silyl]-N-methylmethanamine
CID 175854562
dibromo-butyl-methylsilane
CID 140744808
diethynyl(dipropyl)silane
CID 19787565
triethynyl(propyl)silane
CID 139653408
pentane;tetramethylsilane
CID 173025791
butyl-dimethyl-undecylsilane
CID 54018421
butyl-heptyl-methyl-octylsilane
CID 168803305
dibutyl-heptyl-methylsilane
CID 168803311
but-1-yne;hexane
CID 18785170

Frequently Asked Questions

What is the IUPAC name of butyl-diethynyl-methylsilane?
The IUPAC name of butyl-diethynyl-methylsilane (CID 139796020) is butyl-diethynyl-methylsilane.
What is the SMILES notation for butyl-diethynyl-methylsilane?
The canonical SMILES for butyl-diethynyl-methylsilane is C#C[Si](C)(C#C)CCCC.
What is the InChIKey of butyl-diethynyl-methylsilane?
The InChIKey is UHTWJWFXWRQQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Si/c1-5-8-9-10(4,6-2)7-3/h2-3H,5,8-9H2,1,4H3.
What are the key properties of butyl-diethynyl-methylsilane?
butyl-diethynyl-methylsilane has a molecular weight of 150.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-diethynyl-methylsilane is sourced from PubChem (CID 139796020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).