1-(2-butoxyethoxy)octane

C14H30O2 — CID 53428093

IUPAC1-(2-butoxyethoxy)octane
SMILESCCCCCCCCOCCOCCCC
InChIInChI=1S/C14H30O2/c1-3-5-7-8-9-10-12-16-14-13-15-11-6-4-2/h3-14H2,1-2H3
InChIKeyMDWQMPAXVXBCDY-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.18
Rot. Bonds13

About 1-(2-butoxyethoxy)octane

1-(2-butoxyethoxy)octane (PubChem CID 53428093) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)octane.

Molecular Properties

Compound Name1-(2-butoxyethoxy)octane
PubChem CID53428093
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name1-(2-butoxyethoxy)octane
SMILESCCCCCCCCOCCOCCCC
InChIInChI=1S/C14H30O2/c1-3-5-7-8-9-10-12-16-14-13-15-11-6-4-2/h3-14H2,1-2H3
InChIKeyMDWQMPAXVXBCDY-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.18
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)octane?
The IUPAC name of 1-(2-butoxyethoxy)octane (CID 53428093) is 1-(2-butoxyethoxy)octane.
What is the SMILES notation for 1-(2-butoxyethoxy)octane?
The canonical SMILES for 1-(2-butoxyethoxy)octane is CCCCCCCCOCCOCCCC.
What is the InChIKey of 1-(2-butoxyethoxy)octane?
The InChIKey is MDWQMPAXVXBCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-3-5-7-8-9-10-12-16-14-13-15-11-6-4-2/h3-14H2,1-2H3.
What are the key properties of 1-(2-butoxyethoxy)octane?
1-(2-butoxyethoxy)octane has a molecular weight of 230.39 g/mol, XLogP of 4.18, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)octane is sourced from PubChem (CID 53428093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).