1-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclobutane

C12H24O — CID 90225619

IUPAC1-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclobutane
SMILESCC(C)CC1(COC(C)C)CCC1
InChIInChI=1S/C12H24O/c1-10(2)8-12(6-5-7-12)9-13-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyDZIDTTICRWQVKG-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.63
Rot. Bonds5

About 1-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclobutane

1-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclobutane (PubChem CID 90225619) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclobutane.

Molecular Properties

Compound Name1-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclobutane
PubChem CID90225619
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclobutane
SMILESCC(C)CC1(COC(C)C)CCC1
InChIInChI=1S/C12H24O/c1-10(2)8-12(6-5-7-12)9-13-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyDZIDTTICRWQVKG-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclobutane?
The IUPAC name of 1-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclobutane (CID 90225619) is 1-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclobutane.
What is the SMILES notation for 1-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclobutane?
The canonical SMILES for 1-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclobutane is CC(C)CC1(COC(C)C)CCC1.
What is the InChIKey of 1-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclobutane?
The InChIKey is DZIDTTICRWQVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-10(2)8-12(6-5-7-12)9-13-11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclobutane?
1-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclobutane has a molecular weight of 184.32 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclobutane is sourced from PubChem (CID 90225619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).