1-butoxy-2,2-bis(methoxymethyl)butane

C12H26O3 — CID 20753171

IUPAC1-butoxy-2,2-bis(methoxymethyl)butane
SMILESCCCCOCC(CC)(COC)COC
InChIInChI=1S/C12H26O3/c1-5-7-8-15-11-12(6-2,9-13-3)10-14-4/h5-11H2,1-4H3
InChIKeyBVQPSJAIBJOQRM-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.49
Rot. Bonds10

About 1-butoxy-2,2-bis(methoxymethyl)butane

1-butoxy-2,2-bis(methoxymethyl)butane (PubChem CID 20753171) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-butoxy-2,2-bis(methoxymethyl)butane.

Molecular Properties

Compound Name1-butoxy-2,2-bis(methoxymethyl)butane
PubChem CID20753171
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name1-butoxy-2,2-bis(methoxymethyl)butane
SMILESCCCCOCC(CC)(COC)COC
InChIInChI=1S/C12H26O3/c1-5-7-8-15-11-12(6-2,9-13-3)10-14-4/h5-11H2,1-4H3
InChIKeyBVQPSJAIBJOQRM-UHFFFAOYSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Oxetane, 3,3'-[oxybis(methylene)]bis[3-ethyl-
CID 9964460
Oxetane, 3,3-bis(butoxymethyl)-
CID 200332
1-Ethoxy-2,2-bis(ethoxymethyl)butane
CID 20670498
1,1'-Oxybis(3,3-dimethylbutane)
CID 22662188
Ether, tert-butyl 3,3-dimethylbutyl
CID 546092
1,3-Diethoxy-2,2-dimethylpropane
CID 12698290
1-(2,2-Dimethylbutoxy)-2,2-dimethylbutane
CID 17885937
2-Bis(methoxymethyl)butane
CID 22020736
1-Methoxy-2,2-bis(methoxymethyl)butane
CID 22472413
2,2-Dimethyl 3-butoxy-butane
CID 57587820
1-(2,2-Bis(methoxymethyl)butoxy)-2,2-bis(methoxymethyl)butane
CID 89403838
2,2-Bis(ethoxymethyl)butan-1-ol
CID 3022735

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2,2-bis(methoxymethyl)butane?
The IUPAC name of 1-butoxy-2,2-bis(methoxymethyl)butane (CID 20753171) is 1-butoxy-2,2-bis(methoxymethyl)butane.
What is the SMILES notation for 1-butoxy-2,2-bis(methoxymethyl)butane?
The canonical SMILES for 1-butoxy-2,2-bis(methoxymethyl)butane is CCCCOCC(CC)(COC)COC.
What is the InChIKey of 1-butoxy-2,2-bis(methoxymethyl)butane?
The InChIKey is BVQPSJAIBJOQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-5-7-8-15-11-12(6-2,9-13-3)10-14-4/h5-11H2,1-4H3.
What are the key properties of 1-butoxy-2,2-bis(methoxymethyl)butane?
1-butoxy-2,2-bis(methoxymethyl)butane has a molecular weight of 218.34 g/mol, XLogP of 2.49, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2,2-bis(methoxymethyl)butane is sourced from PubChem (CID 20753171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).