1-(2-but-2-ynoxyethoxy)-3-methylbutane

C11H20O2 — CID 167156674

IUPAC1-(2-but-2-ynoxyethoxy)-3-methylbutane
SMILESCC#CCOCCOCCC(C)C
InChIInChI=1S/C11H20O2/c1-4-5-7-12-9-10-13-8-6-11(2)3/h11H,6-10H2,1-3H3
InChIKeyXOEOXLWCNTZXNO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.09
Rot. Bonds7

About 1-(2-but-2-ynoxyethoxy)-3-methylbutane

1-(2-but-2-ynoxyethoxy)-3-methylbutane (PubChem CID 167156674) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(2-but-2-ynoxyethoxy)-3-methylbutane.

Molecular Properties

Compound Name1-(2-but-2-ynoxyethoxy)-3-methylbutane
PubChem CID167156674
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(2-but-2-ynoxyethoxy)-3-methylbutane
SMILESCC#CCOCCOCCC(C)C
InChIInChI=1S/C11H20O2/c1-4-5-7-12-9-10-13-8-6-11(2)3/h11H,6-10H2,1-3H3
InChIKeyXOEOXLWCNTZXNO-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Ethoxyethoxy)-3-methylbutane
CID 83466
9-(3-Methylbutoxy)nona-3,5-diyne
CID 163024471
1-Ethoxy-2-(2-methylpropoxy)ethane
CID 13445090
1,2-Bis(3-methylbutoxy)ethane
CID 19105354
Diisobutyl cellosolve
CID 21572610
1-Ethoxy-2-(2-methylbutoxy)ethane
CID 57802127
1-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxy]-3-methylbutane
CID 172123969
1-Fluoro-2-[2-(2-methylbutoxy)ethoxy]ethane
CID 178210438
1-Fluoro-2-{2-[2-(2-methylbutoxy)ethoxy]ethoxy}ethane
CID 178210439
1-[2-(2-Methoxyethoxy)ethoxy]-2-methylpropane
CID 13445095
3-Methyl-1,2-di(propan-2-yloxy)butane
CID 17959996
1-[2-(2-Methoxyethoxy)ethoxy]-3-methylbutane
CID 20679211

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-2-ynoxyethoxy)-3-methylbutane?
The IUPAC name of 1-(2-but-2-ynoxyethoxy)-3-methylbutane (CID 167156674) is 1-(2-but-2-ynoxyethoxy)-3-methylbutane.
What is the SMILES notation for 1-(2-but-2-ynoxyethoxy)-3-methylbutane?
The canonical SMILES for 1-(2-but-2-ynoxyethoxy)-3-methylbutane is CC#CCOCCOCCC(C)C.
What is the InChIKey of 1-(2-but-2-ynoxyethoxy)-3-methylbutane?
The InChIKey is XOEOXLWCNTZXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-7-12-9-10-13-8-6-11(2)3/h11H,6-10H2,1-3H3.
What are the key properties of 1-(2-but-2-ynoxyethoxy)-3-methylbutane?
1-(2-but-2-ynoxyethoxy)-3-methylbutane has a molecular weight of 184.28 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-2-ynoxyethoxy)-3-methylbutane is sourced from PubChem (CID 167156674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).