1-(2-methylpropyl)-3-propan-2-yloxycyclobutane

C11H22O — CID 153444524

IUPAC1-(2-methylpropyl)-3-propan-2-yloxycyclobutane
SMILESCC(C)CC1CC(OC(C)C)C1
InChIInChI=1S/C11H22O/c1-8(2)5-10-6-11(7-10)12-9(3)4/h8-11H,5-7H2,1-4H3
InChIKeySFVSXWCQPMWXMV-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds4

About 1-(2-methylpropyl)-3-propan-2-yloxycyclobutane

1-(2-methylpropyl)-3-propan-2-yloxycyclobutane (PubChem CID 153444524) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-propan-2-yloxycyclobutane.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-propan-2-yloxycyclobutane
PubChem CID153444524
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-(2-methylpropyl)-3-propan-2-yloxycyclobutane
SMILESCC(C)CC1CC(OC(C)C)C1
InChIInChI=1S/C11H22O/c1-8(2)5-10-6-11(7-10)12-9(3)4/h8-11H,5-7H2,1-4H3
InChIKeySFVSXWCQPMWXMV-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-methylpropyl)-3-propan-2-yloxycyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-propan-2-yloxycyclobutane?
The IUPAC name of 1-(2-methylpropyl)-3-propan-2-yloxycyclobutane (CID 153444524) is 1-(2-methylpropyl)-3-propan-2-yloxycyclobutane.
What is the SMILES notation for 1-(2-methylpropyl)-3-propan-2-yloxycyclobutane?
The canonical SMILES for 1-(2-methylpropyl)-3-propan-2-yloxycyclobutane is CC(C)CC1CC(OC(C)C)C1.
What is the InChIKey of 1-(2-methylpropyl)-3-propan-2-yloxycyclobutane?
The InChIKey is SFVSXWCQPMWXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-8(2)5-10-6-11(7-10)12-9(3)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-3-propan-2-yloxycyclobutane?
1-(2-methylpropyl)-3-propan-2-yloxycyclobutane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-propan-2-yloxycyclobutane is sourced from PubChem (CID 153444524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).