3-tert-butyl-3-cyclohexyloxane

C15H28O — CID 177073542

IUPAC3-tert-butyl-3-cyclohexyloxane
SMILESCC(C)(C)C1(C2CCCCC2)CCCOC1
InChIInChI=1S/C15H28O/c1-14(2,3)15(10-7-11-16-12-15)13-8-5-4-6-9-13/h13H,4-12H2,1-3H3
InChIKeyPWJFKVFPYQHIDX-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.41
Rot. Bonds1

About 3-tert-butyl-3-cyclohexyloxane

3-tert-butyl-3-cyclohexyloxane (PubChem CID 177073542) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-tert-butyl-3-cyclohexyloxane.

Molecular Properties

Compound Name3-tert-butyl-3-cyclohexyloxane
PubChem CID177073542
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name3-tert-butyl-3-cyclohexyloxane
SMILESCC(C)(C)C1(C2CCCCC2)CCCOC1
InChIInChI=1S/C15H28O/c1-14(2,3)15(10-7-11-16-12-15)13-8-5-4-6-9-13/h13H,4-12H2,1-3H3
InChIKeyPWJFKVFPYQHIDX-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-tert-butyl-3-cyclohexyloxane 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

1-tert-butylbicyclo[4.1.0]heptane
CID 13029060
2-tert-butyl-2-cyclohexyloxolane
CID 177073539
3-cyclohexyloxolan-3-amine
CID 82936472
1,1-di(cyclooctyl)cyclooctane
CID 23107007
4-cycloheptyloxepan-4-amine
CID 82931181
4-cyclohexyl-4-methyloxane
CID 58667675
3a-tert-butyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 167376284
N-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine
CID 116872309
2-(3-tert-butyloxan-3-yl)ethanamine
CID 83817500
3-cyclopentyl-1,4-oxazepane-3-carboxylic acid
CID 105466758
1-cyclopropyl-1-(1,1-difluoroethyl)cyclopentane
CID 162597867
N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63739412

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-cyclohexyloxane?
The IUPAC name of 3-tert-butyl-3-cyclohexyloxane (CID 177073542) is 3-tert-butyl-3-cyclohexyloxane.
What is the SMILES notation for 3-tert-butyl-3-cyclohexyloxane?
The canonical SMILES for 3-tert-butyl-3-cyclohexyloxane is CC(C)(C)C1(C2CCCCC2)CCCOC1.
What is the InChIKey of 3-tert-butyl-3-cyclohexyloxane?
The InChIKey is PWJFKVFPYQHIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-14(2,3)15(10-7-11-16-12-15)13-8-5-4-6-9-13/h13H,4-12H2,1-3H3.
What are the key properties of 3-tert-butyl-3-cyclohexyloxane?
3-tert-butyl-3-cyclohexyloxane has a molecular weight of 224.39 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-cyclohexyloxane is sourced from PubChem (CID 177073542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).