1-methyl-3-(3-methylcyclobutyl)oxycyclobutane

C10H18O — CID 56607418

IUPAC1-methyl-3-(3-methylcyclobutyl)oxycyclobutane
SMILESCC1CC(OC2CC(C)C2)C1
InChIInChI=1S/C10H18O/c1-7-3-9(4-7)11-10-5-8(2)6-10/h7-10H,3-6H2,1-2H3
InChIKeyXFKQIFJEBPSKFB-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.60
Rot. Bonds2

About 1-methyl-3-(3-methylcyclobutyl)oxycyclobutane

1-methyl-3-(3-methylcyclobutyl)oxycyclobutane (PubChem CID 56607418) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-methyl-3-(3-methylcyclobutyl)oxycyclobutane.

Molecular Properties

Compound Name1-methyl-3-(3-methylcyclobutyl)oxycyclobutane
PubChem CID56607418
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-methyl-3-(3-methylcyclobutyl)oxycyclobutane
SMILESCC1CC(OC2CC(C)C2)C1
InChIInChI=1S/C10H18O/c1-7-3-9(4-7)11-10-5-8(2)6-10/h7-10H,3-6H2,1-2H3
InChIKeyXFKQIFJEBPSKFB-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylcyclobutyl)oxycyclobutane?
The IUPAC name of 1-methyl-3-(3-methylcyclobutyl)oxycyclobutane (CID 56607418) is 1-methyl-3-(3-methylcyclobutyl)oxycyclobutane.
What is the SMILES notation for 1-methyl-3-(3-methylcyclobutyl)oxycyclobutane?
The canonical SMILES for 1-methyl-3-(3-methylcyclobutyl)oxycyclobutane is CC1CC(OC2CC(C)C2)C1.
What is the InChIKey of 1-methyl-3-(3-methylcyclobutyl)oxycyclobutane?
The InChIKey is XFKQIFJEBPSKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7-3-9(4-7)11-10-5-8(2)6-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-methyl-3-(3-methylcyclobutyl)oxycyclobutane?
1-methyl-3-(3-methylcyclobutyl)oxycyclobutane has a molecular weight of 154.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylcyclobutyl)oxycyclobutane is sourced from PubChem (CID 56607418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).