1,3-bis(ethoxymethyl)cyclobutane

C10H20O2 — CID 10821082

IUPAC1,3-bis(ethoxymethyl)cyclobutane
SMILESCCOCC1CC(COCC)C1
InChIInChI=1S/C10H20O2/c1-3-11-7-9-5-10(6-9)8-12-4-2/h9-10H,3-8H2,1-2H3
InChIKeySAUCWOBSHPBBHE-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.09
Rot. Bonds6

About 1,3-bis(ethoxymethyl)cyclobutane

1,3-bis(ethoxymethyl)cyclobutane (PubChem CID 10821082) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1,3-bis(ethoxymethyl)cyclobutane.

Molecular Properties

Compound Name1,3-bis(ethoxymethyl)cyclobutane
PubChem CID10821082
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1,3-bis(ethoxymethyl)cyclobutane
SMILESCCOCC1CC(COCC)C1
InChIInChI=1S/C10H20O2/c1-3-11-7-9-5-10(6-9)8-12-4-2/h9-10H,3-8H2,1-2H3
InChIKeySAUCWOBSHPBBHE-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethoxymethyl)cyclobutane?
The IUPAC name of 1,3-bis(ethoxymethyl)cyclobutane (CID 10821082) is 1,3-bis(ethoxymethyl)cyclobutane.
What is the SMILES notation for 1,3-bis(ethoxymethyl)cyclobutane?
The canonical SMILES for 1,3-bis(ethoxymethyl)cyclobutane is CCOCC1CC(COCC)C1.
What is the InChIKey of 1,3-bis(ethoxymethyl)cyclobutane?
The InChIKey is SAUCWOBSHPBBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-11-7-9-5-10(6-9)8-12-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,3-bis(ethoxymethyl)cyclobutane?
1,3-bis(ethoxymethyl)cyclobutane has a molecular weight of 172.27 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethoxymethyl)cyclobutane is sourced from PubChem (CID 10821082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).