2-(1-methoxy-2-methylpropan-2-yl)-1,3-dimethylcyclobutane

C11H22O — CID 123659775

IUPAC2-(1-methoxy-2-methylpropan-2-yl)-1,3-dimethylcyclobutane
SMILESCOCC(C)(C)C1C(C)CC1C
InChIInChI=1S/C11H22O/c1-8-6-9(2)10(8)11(3,4)7-12-5/h8-10H,6-7H2,1-5H3
InChIKeyJABDHEZBEHJVOA-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.95
Rot. Bonds3

About 2-(1-methoxy-2-methylpropan-2-yl)-1,3-dimethylcyclobutane

2-(1-methoxy-2-methylpropan-2-yl)-1,3-dimethylcyclobutane (PubChem CID 123659775) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-(1-methoxy-2-methylpropan-2-yl)-1,3-dimethylcyclobutane.

Molecular Properties

Compound Name2-(1-methoxy-2-methylpropan-2-yl)-1,3-dimethylcyclobutane
PubChem CID123659775
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-(1-methoxy-2-methylpropan-2-yl)-1,3-dimethylcyclobutane
SMILESCOCC(C)(C)C1C(C)CC1C
InChIInChI=1S/C11H22O/c1-8-6-9(2)10(8)11(3,4)7-12-5/h8-10H,6-7H2,1-5H3
InChIKeyJABDHEZBEHJVOA-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2-methylpropan-2-yl)-1,3-dimethylcyclobutane?
The IUPAC name of 2-(1-methoxy-2-methylpropan-2-yl)-1,3-dimethylcyclobutane (CID 123659775) is 2-(1-methoxy-2-methylpropan-2-yl)-1,3-dimethylcyclobutane.
What is the SMILES notation for 2-(1-methoxy-2-methylpropan-2-yl)-1,3-dimethylcyclobutane?
The canonical SMILES for 2-(1-methoxy-2-methylpropan-2-yl)-1,3-dimethylcyclobutane is COCC(C)(C)C1C(C)CC1C.
What is the InChIKey of 2-(1-methoxy-2-methylpropan-2-yl)-1,3-dimethylcyclobutane?
The InChIKey is JABDHEZBEHJVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-8-6-9(2)10(8)11(3,4)7-12-5/h8-10H,6-7H2,1-5H3.
What are the key properties of 2-(1-methoxy-2-methylpropan-2-yl)-1,3-dimethylcyclobutane?
2-(1-methoxy-2-methylpropan-2-yl)-1,3-dimethylcyclobutane has a molecular weight of 170.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2-methylpropan-2-yl)-1,3-dimethylcyclobutane is sourced from PubChem (CID 123659775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).