3-ethenyl-1,1-dimethyl-2,5-dihydrostannole

C8H14Sn — CID 177389165

IUPAC3-ethenyl-1,1-dimethyl-2,5-dihydrostannole
SMILESC=CC1=CC[Sn](C)(C)C1
InChIInChI=1S/C6H8.2CH3.Sn/c1-4-6(3)5-2;;;/h4-5H,1-3H2;2*1H3;/b6-4+;;;
InChIKeyNZEOWJRJBGYEFI-VFKQLSEOSA-N
MW228.91 g/mol
LogP2.82
Rot. Bonds1

About 3-ethenyl-1,1-dimethyl-2,5-dihydrostannole

3-ethenyl-1,1-dimethyl-2,5-dihydrostannole (PubChem CID 177389165) has the molecular formula C8H14Sn and a molecular weight of 228.91 g/mol. Its IUPAC name is 3-ethenyl-1,1-dimethyl-2,5-dihydrostannole.

Molecular Properties

Compound Name3-ethenyl-1,1-dimethyl-2,5-dihydrostannole
PubChem CID177389165
Molecular FormulaC8H14Sn
Molecular Weight228.91 g/mol
Exact Mass230.01
IUPAC Name3-ethenyl-1,1-dimethyl-2,5-dihydrostannole
SMILESC=CC1=CC[Sn](C)(C)C1
InChIInChI=1S/C6H8.2CH3.Sn/c1-4-6(3)5-2;;;/h4-5H,1-3H2;2*1H3;/b6-4+;;;
InChIKeyNZEOWJRJBGYEFI-VFKQLSEOSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.91
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Dimethylhexadiene
CID 6365525
1,3-Cyclopentadiene, 5-(1-methylethylidene)-
CID 137467
(3E)-3-methylpenta-1,3-diene
CID 638069
Cosmene
CID 5368451
3-Methylpenta-1,3-diene
CID 20682
2-Methylcyclopentadiene
CID 138026
6-Methyl-6-ethylfulvene
CID 570704
3-Methyl-1,3-pentadiene, (3Z)-
CID 5365694
1,3,5-Hexatriene, 3-methyl-, (E)-
CID 5367380
2,5-Dimethyl-1,3,5-hexatriene
CID 5463210
(3E,5Z)-2,6-dimethylocta-1,3,5,7-tetraene
CID 12304092
6-Methylfulvene
CID 138062

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,1-dimethyl-2,5-dihydrostannole?
The IUPAC name of 3-ethenyl-1,1-dimethyl-2,5-dihydrostannole (CID 177389165) is 3-ethenyl-1,1-dimethyl-2,5-dihydrostannole.
What is the SMILES notation for 3-ethenyl-1,1-dimethyl-2,5-dihydrostannole?
The canonical SMILES for 3-ethenyl-1,1-dimethyl-2,5-dihydrostannole is C=CC1=CC[Sn](C)(C)C1.
What is the InChIKey of 3-ethenyl-1,1-dimethyl-2,5-dihydrostannole?
The InChIKey is NZEOWJRJBGYEFI-VFKQLSEOSA-N. The full InChI is InChI=1S/C6H8.2CH3.Sn/c1-4-6(3)5-2;;;/h4-5H,1-3H2;2*1H3;/b6-4+;;;.
What are the key properties of 3-ethenyl-1,1-dimethyl-2,5-dihydrostannole?
3-ethenyl-1,1-dimethyl-2,5-dihydrostannole has a molecular weight of 228.91 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,1-dimethyl-2,5-dihydrostannole is sourced from PubChem (CID 177389165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).