bis(3-methylbuta-1,3-dienyl)gallane

C10H15Ga — CID 173276496

IUPACbis(3-methylbuta-1,3-dienyl)gallane
SMILESC=C(C)C=C[GaH]C=CC(=C)C
InChIInChI=1S/2C5H7.Ga.H/c2*1-4-5(2)3;;/h2*1,4H,2H2,3H3;;
InChIKeyXKUZQHSKUILKCD-UHFFFAOYSA-N
MW204.95 g/mol
LogP2.60
Rot. Bonds4

About bis(3-methylbuta-1,3-dienyl)gallane

bis(3-methylbuta-1,3-dienyl)gallane (PubChem CID 173276496) has the molecular formula C10H15Ga and a molecular weight of 204.95 g/mol. Its IUPAC name is bis(3-methylbuta-1,3-dienyl)gallane.

Molecular Properties

Compound Namebis(3-methylbuta-1,3-dienyl)gallane
PubChem CID173276496
Molecular FormulaC10H15Ga
Molecular Weight204.95 g/mol
Exact Mass204.04
IUPAC Namebis(3-methylbuta-1,3-dienyl)gallane
SMILESC=C(C)C=C[GaH]C=CC(=C)C
InChIInChI=1S/2C5H7.Ga.H/c2*1-4-5(2)3;;/h2*1,4H,2H2,3H3;;
InChIKeyXKUZQHSKUILKCD-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.95
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene
CID 11106169
(3Z)-5-methylhexa-1,3,5-trien-2-amine
CID 87058792
(3Z)-5-methylhexa-1,3,5-trien-2-ol;uranium
CID 143030811
ethane;ethene;(3Z)-2-methylpenta-1,3-diene
CID 143006667
dimethoxy-bis(3-methylbuta-1,3-dienyl)silane
CID 178181629
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(3Z)-2,6-dimethylhepta-1,3,5-triene
CID 96562826
2-methylhepta-1,3,5-triene
CID 54571604

Frequently Asked Questions

What is the IUPAC name of bis(3-methylbuta-1,3-dienyl)gallane?
The IUPAC name of bis(3-methylbuta-1,3-dienyl)gallane (CID 173276496) is bis(3-methylbuta-1,3-dienyl)gallane.
What is the SMILES notation for bis(3-methylbuta-1,3-dienyl)gallane?
The canonical SMILES for bis(3-methylbuta-1,3-dienyl)gallane is C=C(C)C=C[GaH]C=CC(=C)C.
What is the InChIKey of bis(3-methylbuta-1,3-dienyl)gallane?
The InChIKey is XKUZQHSKUILKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7.Ga.H/c2*1-4-5(2)3;;/h2*1,4H,2H2,3H3;;.
What are the key properties of bis(3-methylbuta-1,3-dienyl)gallane?
bis(3-methylbuta-1,3-dienyl)gallane has a molecular weight of 204.95 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylbuta-1,3-dienyl)gallane is sourced from PubChem (CID 173276496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).