2-(3-butoxy-3-methylbutoxy)-2-methylhexane

C16H34O2 — CID 91013073

IUPAC2-(3-butoxy-3-methylbutoxy)-2-methylhexane
SMILESCCCCOC(C)(C)CCOC(C)(C)CCCC
InChIInChI=1S/C16H34O2/c1-7-9-11-15(3,4)18-14-12-16(5,6)17-13-10-8-2/h7-14H2,1-6H3
InChIKeyIYQAXCJGQMDFLG-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.96
Rot. Bonds11

About 2-(3-butoxy-3-methylbutoxy)-2-methylhexane

2-(3-butoxy-3-methylbutoxy)-2-methylhexane (PubChem CID 91013073) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-(3-butoxy-3-methylbutoxy)-2-methylhexane.

Molecular Properties

Compound Name2-(3-butoxy-3-methylbutoxy)-2-methylhexane
PubChem CID91013073
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name2-(3-butoxy-3-methylbutoxy)-2-methylhexane
SMILESCCCCOC(C)(C)CCOC(C)(C)CCCC
InChIInChI=1S/C16H34O2/c1-7-9-11-15(3,4)18-14-12-16(5,6)17-13-10-8-2/h7-14H2,1-6H3
InChIKeyIYQAXCJGQMDFLG-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,8-Diethoxy-2,5,8,11-tetramethyldodec-6-yne
CID 134813569
Methyl-Butyl-Ather
CID 19906858
Di-n-butyl di-n-butyl ether
CID 145738666
2,5-Bis(tert-butyloxy)-2,5-dimethylhexane
CID 3028563
2,5-Bis(2,2-dimethylpentan-3-yloxy)-2,5-dimethylhexane
CID 19931576
2,4-Diethoxy-2,4-dimethylpentane
CID 22372602
2,4-Dibutoxy-2,4-dimethylpentane
CID 22372605
1-(3-Methoxy-3-methylbutoxy)hexane
CID 53912815
1-[4-(4-Methylpentoxy)butan-2-yloxy]hexane
CID 57015480
2,5-Bis(4,4-dimethylpentoxy)-2,5-dimethylhexane
CID 57040194
2-(3-Methoxy-3-methylbutoxy)-2-methylpentane
CID 57067616
5-Butoxy-5-butylnonane
CID 57078567

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxy-3-methylbutoxy)-2-methylhexane?
The IUPAC name of 2-(3-butoxy-3-methylbutoxy)-2-methylhexane (CID 91013073) is 2-(3-butoxy-3-methylbutoxy)-2-methylhexane.
What is the SMILES notation for 2-(3-butoxy-3-methylbutoxy)-2-methylhexane?
The canonical SMILES for 2-(3-butoxy-3-methylbutoxy)-2-methylhexane is CCCCOC(C)(C)CCOC(C)(C)CCCC.
What is the InChIKey of 2-(3-butoxy-3-methylbutoxy)-2-methylhexane?
The InChIKey is IYQAXCJGQMDFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-7-9-11-15(3,4)18-14-12-16(5,6)17-13-10-8-2/h7-14H2,1-6H3.
What are the key properties of 2-(3-butoxy-3-methylbutoxy)-2-methylhexane?
2-(3-butoxy-3-methylbutoxy)-2-methylhexane has a molecular weight of 258.45 g/mol, XLogP of 4.96, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxy-3-methylbutoxy)-2-methylhexane is sourced from PubChem (CID 91013073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).