1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane

C22H48O6 — CID 157339506

IUPAC1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane
SMILESCCCCCOCCOCCOC.CCCCOCCOCCOCCCC
InChIInChI=1S/C12H26O3.C10H22O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2;1-3-4-5-6-12-9-10-13-8-7-11-2/h3-12H2,1-2H3;3-10H2,1-2H3
InChIKeyBGFRRIOKMPSJGD-UHFFFAOYSA-N
MW408.62 g/mol
LogP4.49
Rot. Bonds22

About 1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane

1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane (PubChem CID 157339506) has the molecular formula C22H48O6 and a molecular weight of 408.62 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane
PubChem CID157339506
Molecular FormulaC22H48O6
Molecular Weight408.62 g/mol
Exact Mass408.35
IUPAC Name1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane
SMILESCCCCCOCCOCCOC.CCCCOCCOCCOCCCC
InChIInChI=1S/C12H26O3.C10H22O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2;1-3-4-5-6-12-9-10-13-8-7-11-2/h3-12H2,1-2H3;3-10H2,1-2H3
InChIKeyBGFRRIOKMPSJGD-UHFFFAOYSA-N
XLogP4.49
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.62
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 175220502
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151811497
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806
1,2-dimethoxyethane;1-hexoxyhexane
CID 174800290
1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496
1-butoxy-4-methoxybutane
CID 13082830
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
methane;1-(2-methoxyethoxy)butane;propan-1-ol
CID 167623452
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1,8-bis(2-methoxyethoxy)octane
CID 143118909

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane?
The IUPAC name of 1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane (CID 157339506) is 1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane?
The canonical SMILES for 1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane is CCCCCOCCOCCOC.CCCCOCCOCCOCCCC.
What is the InChIKey of 1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane?
The InChIKey is BGFRRIOKMPSJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3.C10H22O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2;1-3-4-5-6-12-9-10-13-8-7-11-2/h3-12H2,1-2H3;3-10H2,1-2H3.
What are the key properties of 1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane?
1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane has a molecular weight of 408.62 g/mol, XLogP of 4.49, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane is sourced from PubChem (CID 157339506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).