gallane;3-methyl-1-(3-methylbutoxy)butane

C10H25GaO — CID 174967258

IUPACgallane;3-methyl-1-(3-methylbutoxy)butane
SMILESCC(C)CCOCCC(C)C.[GaH3]
InChIInChI=1S/C10H22O.Ga.3H/c1-9(2)5-7-11-8-6-10(3)4;;;;/h9-10H,5-8H2,1-4H3;;;;
InChIKeyKGADOVHNPCDTSH-UHFFFAOYSA-N
MW231.03 g/mol
LogP1.91
Rot. Bonds6

About gallane;3-methyl-1-(3-methylbutoxy)butane

gallane;3-methyl-1-(3-methylbutoxy)butane (PubChem CID 174967258) has the molecular formula C10H25GaO and a molecular weight of 231.03 g/mol. Its IUPAC name is gallane;3-methyl-1-(3-methylbutoxy)butane.

Molecular Properties

Compound Namegallane;3-methyl-1-(3-methylbutoxy)butane
PubChem CID174967258
Molecular FormulaC10H25GaO
Molecular Weight231.03 g/mol
Exact Mass230.12
IUPAC Namegallane;3-methyl-1-(3-methylbutoxy)butane
SMILESCC(C)CCOCCC(C)C.[GaH3]
InChIInChI=1S/C10H22O.Ga.3H/c1-9(2)5-7-11-8-6-10(3)4;;;;/h9-10H,5-8H2,1-4H3;;;;
InChIKeyKGADOVHNPCDTSH-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.03
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
3-methyl-5-(3-methylbutoxy)pentan-1-ol
CID 175419850
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium
CID 142623254
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
6-methyl-1-(3-methylbutoxy)heptan-3-ol
CID 115001714
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
1-[3-[3-(3,7-dimethyloctoxy)propoxy]propoxy]-3,7-dimethyloctane
CID 58682905
1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
CID 161271742

Frequently Asked Questions

What is the IUPAC name of gallane;3-methyl-1-(3-methylbutoxy)butane?
The IUPAC name of gallane;3-methyl-1-(3-methylbutoxy)butane (CID 174967258) is gallane;3-methyl-1-(3-methylbutoxy)butane.
What is the SMILES notation for gallane;3-methyl-1-(3-methylbutoxy)butane?
The canonical SMILES for gallane;3-methyl-1-(3-methylbutoxy)butane is CC(C)CCOCCC(C)C.[GaH3].
What is the InChIKey of gallane;3-methyl-1-(3-methylbutoxy)butane?
The InChIKey is KGADOVHNPCDTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.Ga.3H/c1-9(2)5-7-11-8-6-10(3)4;;;;/h9-10H,5-8H2,1-4H3;;;;.
What are the key properties of gallane;3-methyl-1-(3-methylbutoxy)butane?
gallane;3-methyl-1-(3-methylbutoxy)butane has a molecular weight of 231.03 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for gallane;3-methyl-1-(3-methylbutoxy)butane is sourced from PubChem (CID 174967258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).