tris(2-ethylcyclopenta-2,4-dien-1-yl)gallane

C21H27Ga — CID 90472027

IUPACtris(2-ethylcyclopenta-2,4-dien-1-yl)gallane
SMILESCCC1=CC=CC1[Ga](C1C=CC=C1CC)C1C=CC=C1CC
InChIInChI=1S/3C7H9.Ga/c3*1-2-7-5-3-4-6-7;/h3*3-6H,2H2,1H3;
InChIKeyZCSQHNHPRXJDFR-UHFFFAOYSA-N
MW349.17 g/mol
LogP6.31
Rot. Bonds6

About tris(2-ethylcyclopenta-2,4-dien-1-yl)gallane

tris(2-ethylcyclopenta-2,4-dien-1-yl)gallane (PubChem CID 90472027) has the molecular formula C21H27Ga and a molecular weight of 349.17 g/mol. Its IUPAC name is tris(2-ethylcyclopenta-2,4-dien-1-yl)gallane.

Molecular Properties

Compound Nametris(2-ethylcyclopenta-2,4-dien-1-yl)gallane
PubChem CID90472027
Molecular FormulaC21H27Ga
Molecular Weight349.17 g/mol
Exact Mass348.14
IUPAC Nametris(2-ethylcyclopenta-2,4-dien-1-yl)gallane
SMILESCCC1=CC=CC1[Ga](C1C=CC=C1CC)C1C=CC=C1CC
InChIInChI=1S/3C7H9.Ga/c3*1-2-7-5-3-4-6-7;/h3*3-6H,2H2,1H3;
InChIKeyZCSQHNHPRXJDFR-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.17
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-5-methylcyclopenta-1,3-diene;titanium
CID 174586212
5-ethyl-1,4-dimethyl-4a,8a-dihydronaphthalene
CID 123465599
[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene
CID 141345784
(2-ethylcyclopenta-2,4-dien-1-yl)-dimethyl-phenylsilane
CID 173383828
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
3,4-diethyl-2,3,3a,7a-tetrahydro-1H-indole
CID 54551469
tris[3,5-di(propan-2-yl)phenyl]-(2-ethylcyclopenta-2,4-dien-1-yl)silane
CID 140852738
2-ethylcyclohexa-2,4-dien-1-amine
CID 123185856
1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene
CID 141345910
5-ethyl-6-hydroxycyclohexa-2,4-diene-1-thione
CID 174504587
(2-butylcyclopenta-2,4-dien-1-yl)silane
CID 150574947
2,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine
CID 70378917

Frequently Asked Questions

What is the IUPAC name of tris(2-ethylcyclopenta-2,4-dien-1-yl)gallane?
The IUPAC name of tris(2-ethylcyclopenta-2,4-dien-1-yl)gallane (CID 90472027) is tris(2-ethylcyclopenta-2,4-dien-1-yl)gallane.
What is the SMILES notation for tris(2-ethylcyclopenta-2,4-dien-1-yl)gallane?
The canonical SMILES for tris(2-ethylcyclopenta-2,4-dien-1-yl)gallane is CCC1=CC=CC1[Ga](C1C=CC=C1CC)C1C=CC=C1CC.
What is the InChIKey of tris(2-ethylcyclopenta-2,4-dien-1-yl)gallane?
The InChIKey is ZCSQHNHPRXJDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H9.Ga/c3*1-2-7-5-3-4-6-7;/h3*3-6H,2H2,1H3;.
What are the key properties of tris(2-ethylcyclopenta-2,4-dien-1-yl)gallane?
tris(2-ethylcyclopenta-2,4-dien-1-yl)gallane has a molecular weight of 349.17 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-ethylcyclopenta-2,4-dien-1-yl)gallane is sourced from PubChem (CID 90472027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).