methoxy-bis(2-methylpropyl)gallane

C9H21GaO — CID 178181567

IUPACmethoxy-bis(2-methylpropyl)gallane
SMILESCO[Ga](CC(C)C)CC(C)C
InChIInChI=1S/2C4H9.CH3O.Ga/c2*1-4(2)3;1-2;/h2*4H,1H2,2-3H3;1H3;/q;;-1;+1
InChIKeyXVMNKKFMUFNQTC-UHFFFAOYSA-N
MW214.99 g/mol
LogP2.94
Rot. Bonds5

About methoxy-bis(2-methylpropyl)gallane

methoxy-bis(2-methylpropyl)gallane (PubChem CID 178181567) has the molecular formula C9H21GaO and a molecular weight of 214.99 g/mol. Its IUPAC name is methoxy-bis(2-methylpropyl)gallane.

Molecular Properties

Compound Namemethoxy-bis(2-methylpropyl)gallane
PubChem CID178181567
Molecular FormulaC9H21GaO
Molecular Weight214.99 g/mol
Exact Mass214.08
IUPAC Namemethoxy-bis(2-methylpropyl)gallane
SMILESCO[Ga](CC(C)C)CC(C)C
InChIInChI=1S/2C4H9.CH3O.Ga/c2*1-4(2)3;1-2;/h2*4H,1H2,2-3H3;1H3;/q;;-1;+1
InChIKeyXVMNKKFMUFNQTC-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.99
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methoxy-bis(2-methylpropyl)gallane?
The IUPAC name of methoxy-bis(2-methylpropyl)gallane (CID 178181567) is methoxy-bis(2-methylpropyl)gallane.
What is the SMILES notation for methoxy-bis(2-methylpropyl)gallane?
The canonical SMILES for methoxy-bis(2-methylpropyl)gallane is CO[Ga](CC(C)C)CC(C)C.
What is the InChIKey of methoxy-bis(2-methylpropyl)gallane?
The InChIKey is XVMNKKFMUFNQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.CH3O.Ga/c2*1-4(2)3;1-2;/h2*4H,1H2,2-3H3;1H3;/q;;-1;+1.
What are the key properties of methoxy-bis(2-methylpropyl)gallane?
methoxy-bis(2-methylpropyl)gallane has a molecular weight of 214.99 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-bis(2-methylpropyl)gallane is sourced from PubChem (CID 178181567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).