1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane

C12H24O — CID 171055813

IUPAC1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane
SMILESCC(C)(C)OC1CCC1C(C)(C)C
InChIInChI=1S/C12H24O/c1-11(2,3)9-7-8-10(9)13-12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyZTZIAIAUOAMKDQ-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.63
Rot. Bonds1

About 1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane

1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane (PubChem CID 171055813) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane.

Molecular Properties

Compound Name1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane
PubChem CID171055813
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane
SMILESCC(C)(C)OC1CCC1C(C)(C)C
InChIInChI=1S/C12H24O/c1-11(2,3)9-7-8-10(9)13-12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyZTZIAIAUOAMKDQ-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

Analyze 1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane with MolForge

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

Launch Full Analysis

Related Compounds

trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane
CID 66800520
(1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol
CID 118186347
1-tert-butyl-2,4-dimethoxycyclohexane
CID 140726408
(1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene
CID 23092808
(2-tert-butylcyclohexyl)oxyphosphinite
CID 102484374
1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane
CID 12578562
4-tert-butyl-3-methoxy-1-methylpiperidine
CID 58394887
(3R,4R)-3,4-bis[(2-methylpropan-2-yl)oxy]-1-oxido-3,4-dihydro-2H-pyrrol-1-ium
CID 10998783
2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride
CID 172642150
(3S,3aR,6S,6aR)-3,6-bis[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 139315398
4-tert-butyl-5-methylcyclononan-1-amine
CID 175635509
trans-(1S,2S)-N,N-ditert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
CID 59264961

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane?
The IUPAC name of 1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane (CID 171055813) is 1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane.
What is the SMILES notation for 1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane?
The canonical SMILES for 1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane is CC(C)(C)OC1CCC1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane?
The InChIKey is ZTZIAIAUOAMKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-11(2,3)9-7-8-10(9)13-12(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane?
1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane has a molecular weight of 184.32 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane is sourced from PubChem (CID 171055813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).