1-(2-propan-2-yloxyethoxy)butane

C9H20O2 — CID 22002894

IUPAC1-(2-propan-2-yloxyethoxy)butane
SMILESCCCCOCCOC(C)C
InChIInChI=1S/C9H20O2/c1-4-5-6-10-7-8-11-9(2)3/h9H,4-8H2,1-3H3
InChIKeyKHEZMDNNPTZPLE-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.23
Rot. Bonds7

About 1-(2-propan-2-yloxyethoxy)butane

1-(2-propan-2-yloxyethoxy)butane (PubChem CID 22002894) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethoxy)butane.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethoxy)butane
PubChem CID22002894
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1-(2-propan-2-yloxyethoxy)butane
SMILESCCCCOCCOC(C)C
InChIInChI=1S/C9H20O2/c1-4-5-6-10-7-8-11-9(2)3/h9H,4-8H2,1-3H3
InChIKeyKHEZMDNNPTZPLE-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.23
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

Dipropylene glycol n-butyl ether
CID 24752
Diethylene glycol dibutyl ether
CID 8210
1-(2-Butoxyethoxy)-2-propanol
CID 31287
Ethylene glycol dibutyl ether
CID 8188
5,8,11,14-Tetraoxaoctadecane
CID 2733908
7-Methyl-2,6,9,12-tetraoxahexadecane
CID 24838540
1-Butoxy-2-ethoxyethane
CID 20451
Butyl 2-methoxyethyl ether
CID 83358
1-(2-Butoxypropoxy)propan-2-ol
CID 91121
Oxirane, ((2-butoxyethoxy)methyl)-
CID 93080
1,2'-Oxydipropanol dimethyl ether
CID 14455226
Ethanol, 2-(2-butoxyethoxy)-, sodium salt (1:1)
CID 23677067

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethoxy)butane?
The IUPAC name of 1-(2-propan-2-yloxyethoxy)butane (CID 22002894) is 1-(2-propan-2-yloxyethoxy)butane.
What is the SMILES notation for 1-(2-propan-2-yloxyethoxy)butane?
The canonical SMILES for 1-(2-propan-2-yloxyethoxy)butane is CCCCOCCOC(C)C.
What is the InChIKey of 1-(2-propan-2-yloxyethoxy)butane?
The InChIKey is KHEZMDNNPTZPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-4-5-6-10-7-8-11-9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 1-(2-propan-2-yloxyethoxy)butane?
1-(2-propan-2-yloxyethoxy)butane has a molecular weight of 160.26 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethoxy)butane is sourced from PubChem (CID 22002894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).