buta-1,3-diene;triethylsilane

C10H22Si — CID 175344299

IUPACbuta-1,3-diene;triethylsilane
SMILESC=CC=C.CC[SiH](CC)CC
InChIInChI=1S/C6H16Si.C4H6/c1-4-7(5-2)6-3;1-3-4-2/h7H,4-6H2,1-3H3;3-4H,1-2H2
InChIKeyLWKQFMPDSCGCIF-UHFFFAOYSA-N
MW170.37 g/mol
LogP3.63
Rot. Bonds4

About buta-1,3-diene;triethylsilane

buta-1,3-diene;triethylsilane (PubChem CID 175344299) has the molecular formula C10H22Si and a molecular weight of 170.37 g/mol. Its IUPAC name is buta-1,3-diene;triethylsilane.

Molecular Properties

Compound Namebuta-1,3-diene;triethylsilane
PubChem CID175344299
Molecular FormulaC10H22Si
Molecular Weight170.37 g/mol
Exact Mass170.15
IUPAC Namebuta-1,3-diene;triethylsilane
SMILESC=CC=C.CC[SiH](CC)CC
InChIInChI=1S/C6H16Si.C4H6/c1-4-7(5-2)6-3;1-3-4-2/h7H,4-6H2,1-3H3;3-4H,1-2H2
InChIKeyLWKQFMPDSCGCIF-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

prop-2-enoic acid;triethylsilane
CID 175005870
triethylsilane;trimethylsilane
CID 159958276
zinc;triethylsilane;dichloride
CID 160809278
diethyl(prop-2-enyl)silane;hydrochloride
CID 174892352
ethyl-bis(prop-2-enyl)silane;hydrofluoride
CID 174699217
buta-1,3-diene;ethylaluminum(2+);dichloride
CID 22753644
buta-1,3-diene
CID 7845
buta-1,3-diene;ethoxyethane
CID 18964357
buta-1,3-diene;ethylsulfanylethane
CID 88659093
buta-1,3-diene;but-1-ene;prop-1-ene
CID 161064943
phosphoric acid;tris(triethylsilane)
CID 158157117
buta-1,3-diene;diethoxy(oxo)phosphanium
CID 88766369

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;triethylsilane?
The IUPAC name of buta-1,3-diene;triethylsilane (CID 175344299) is buta-1,3-diene;triethylsilane.
What is the SMILES notation for buta-1,3-diene;triethylsilane?
The canonical SMILES for buta-1,3-diene;triethylsilane is C=CC=C.CC[SiH](CC)CC.
What is the InChIKey of buta-1,3-diene;triethylsilane?
The InChIKey is LWKQFMPDSCGCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16Si.C4H6/c1-4-7(5-2)6-3;1-3-4-2/h7H,4-6H2,1-3H3;3-4H,1-2H2.
What are the key properties of buta-1,3-diene;triethylsilane?
buta-1,3-diene;triethylsilane has a molecular weight of 170.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;triethylsilane is sourced from PubChem (CID 175344299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).