ethoxycyclobutane

C6H12O — CID 12500872

IUPACethoxycyclobutane
SMILESCCOC1CCC1
InChIInChI=1S/C6H12O/c1-2-7-6-4-3-5-6/h6H,2-5H2,1H3
InChIKeyJPCBGVISUDCKTF-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.58
Rot. Bonds2

About ethoxycyclobutane

ethoxycyclobutane (PubChem CID 12500872) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is ethoxycyclobutane.

Molecular Properties

Compound Nameethoxycyclobutane
PubChem CID12500872
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Nameethoxycyclobutane
SMILESCCOC1CCC1
InChIInChI=1S/C6H12O/c1-2-7-6-4-3-5-6/h6H,2-5H2,1H3
InChIKeyJPCBGVISUDCKTF-UHFFFAOYSA-N
XLogP1.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Diisopropyl Ether
CID 7914
2-Ethoxybutane
CID 17586
2-Methyloxetane
CID 16565
Ethyl isopropyl ether
CID 12256
Propane, 1-(1-methylethoxy)-
CID 12304
Butane, 1-(1-methylethoxy)-
CID 137240
Methoxycyclobutane
CID 87714
Diisopropyl ether-13C6
CID 71308954
[(s)-1-Methyl-propyl]-ethyl ether
CID 57895829
Oxetane, 2,4-dimethyl-, trans-
CID 71357491
1-Fluoro-3-methoxycyclobutane
CID 117936603
1-Fluoro-3-propan-2-yloxycyclobutane
CID 122501565

Frequently Asked Questions

What is the IUPAC name of ethoxycyclobutane?
The IUPAC name of ethoxycyclobutane (CID 12500872) is ethoxycyclobutane.
What is the SMILES notation for ethoxycyclobutane?
The canonical SMILES for ethoxycyclobutane is CCOC1CCC1.
What is the InChIKey of ethoxycyclobutane?
The InChIKey is JPCBGVISUDCKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-2-7-6-4-3-5-6/h6H,2-5H2,1H3.
What are the key properties of ethoxycyclobutane?
ethoxycyclobutane has a molecular weight of 100.16 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycyclobutane is sourced from PubChem (CID 12500872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).