1,1-bis(propan-2-yloxymethyl)cyclobutane

C12H24O2 — CID 141062345

IUPAC1,1-bis(propan-2-yloxymethyl)cyclobutane
SMILESCC(C)OCC1(COC(C)C)CCC1
InChIInChI=1S/C12H24O2/c1-10(2)13-8-12(6-5-7-12)9-14-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyLOJLGRNCMCIGPB-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.01
Rot. Bonds6

About 1,1-bis(propan-2-yloxymethyl)cyclobutane

1,1-bis(propan-2-yloxymethyl)cyclobutane (PubChem CID 141062345) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1,1-bis(propan-2-yloxymethyl)cyclobutane.

Molecular Properties

Compound Name1,1-bis(propan-2-yloxymethyl)cyclobutane
PubChem CID141062345
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1,1-bis(propan-2-yloxymethyl)cyclobutane
SMILESCC(C)OCC1(COC(C)C)CCC1
InChIInChI=1S/C12H24O2/c1-10(2)13-8-12(6-5-7-12)9-14-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyLOJLGRNCMCIGPB-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(propan-2-yloxymethyl)cyclobutane?
The IUPAC name of 1,1-bis(propan-2-yloxymethyl)cyclobutane (CID 141062345) is 1,1-bis(propan-2-yloxymethyl)cyclobutane.
What is the SMILES notation for 1,1-bis(propan-2-yloxymethyl)cyclobutane?
The canonical SMILES for 1,1-bis(propan-2-yloxymethyl)cyclobutane is CC(C)OCC1(COC(C)C)CCC1.
What is the InChIKey of 1,1-bis(propan-2-yloxymethyl)cyclobutane?
The InChIKey is LOJLGRNCMCIGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(2)13-8-12(6-5-7-12)9-14-11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1,1-bis(propan-2-yloxymethyl)cyclobutane?
1,1-bis(propan-2-yloxymethyl)cyclobutane has a molecular weight of 200.32 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(propan-2-yloxymethyl)cyclobutane is sourced from PubChem (CID 141062345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).