2-butoxyethoxycyclobutane

C10H20O2 — CID 150038799

IUPAC2-butoxyethoxycyclobutane
SMILESCCCCOCCOC1CCC1
InChIInChI=1S/C10H20O2/c1-2-3-7-11-8-9-12-10-5-4-6-10/h10H,2-9H2,1H3
InChIKeyDIVLNRUHZBWRDI-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.37
Rot. Bonds7

About 2-butoxyethoxycyclobutane

2-butoxyethoxycyclobutane (PubChem CID 150038799) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-butoxyethoxycyclobutane.

Molecular Properties

Compound Name2-butoxyethoxycyclobutane
PubChem CID150038799
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-butoxyethoxycyclobutane
SMILESCCCCOCCOC1CCC1
InChIInChI=1S/C10H20O2/c1-2-3-7-11-8-9-12-10-5-4-6-10/h10H,2-9H2,1H3
InChIKeyDIVLNRUHZBWRDI-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.37
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

butoxycyclobutane
CID 54057236
3-(2-butoxyethoxy)piperidine
CID 55151121
butoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide
CID 171539171
1-bromo-3-(2-butoxyethoxy)cyclobutane
CID 66345122
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
butoxycyclopentane;ethane-1,2-diol
CID 174670164
butylperoxycyclobutane
CID 151578639
1,10-bis(2-butoxyethoxy)decane
CID 90257337
10-butoxycyclooctadecan-1-ol
CID 91298202
3-(2-propoxyethoxy)cyclohexan-1-amine
CID 79618913
3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine
CID 79642433

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethoxycyclobutane?
The IUPAC name of 2-butoxyethoxycyclobutane (CID 150038799) is 2-butoxyethoxycyclobutane.
What is the SMILES notation for 2-butoxyethoxycyclobutane?
The canonical SMILES for 2-butoxyethoxycyclobutane is CCCCOCCOC1CCC1.
What is the InChIKey of 2-butoxyethoxycyclobutane?
The InChIKey is DIVLNRUHZBWRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-7-11-8-9-12-10-5-4-6-10/h10H,2-9H2,1H3.
What are the key properties of 2-butoxyethoxycyclobutane?
2-butoxyethoxycyclobutane has a molecular weight of 172.27 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethoxycyclobutane is sourced from PubChem (CID 150038799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).