butan-2-ylcyclohexane;ethane

C14H32 — CID 143005290

IUPACbutan-2-ylcyclohexane;ethane
SMILESCC.CC.CCC(C)C1CCCCC1
InChIInChI=1S/C10H20.2C2H6/c1-3-9(2)10-7-5-4-6-8-10;2*1-2/h9-10H,3-8H2,1-2H3;2*1-2H3
InChIKeyATLCLMNRDXDMRV-UHFFFAOYSA-N
MW200.41 g/mol
LogP5.67
Rot. Bonds2

About butan-2-ylcyclohexane;ethane

butan-2-ylcyclohexane;ethane (PubChem CID 143005290) has the molecular formula C14H32 and a molecular weight of 200.41 g/mol. Its IUPAC name is butan-2-ylcyclohexane;ethane.

Molecular Properties

Compound Namebutan-2-ylcyclohexane;ethane
PubChem CID143005290
Molecular FormulaC14H32
Molecular Weight200.41 g/mol
Exact Mass200.25
IUPAC Namebutan-2-ylcyclohexane;ethane
SMILESCC.CC.CCC(C)C1CCCCC1
InChIInChI=1S/C10H20.2C2H6/c1-3-9(2)10-7-5-4-6-8-10;2*1-2/h9-10H,3-8H2,1-2H3;2*1-2H3
InChIKeyATLCLMNRDXDMRV-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.41
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze butan-2-ylcyclohexane;ethane 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

butan-2-ylcyclohexane;ethane;propane
CID 143477078
butan-2-ylcyclohexadecane
CID 123713671
butan-2-ylcyclopentane;ethane
CID 143236269
butan-2-ylcyclohexane;heptane
CID 143477095
butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane
CID 177138438
ethane;pentan-2-ylcyclohexane
CID 143225886
4-[(2R)-butan-2-yl]piperidine;ethane
CID 142032949
butane;pentan-2-ylcyclohexane
CID 143682251
2-cyclododecylpropan-1-ol;ethanol
CID 69400645
(2S)-2-cycloheptylpropan-1-amine
CID 96634967
1-butan-2-yl-4-methylcyclohexane
CID 20676481
(2R)-2-cyclohexylpropan-1-ol
CID 10176192

Frequently Asked Questions

What is the IUPAC name of butan-2-ylcyclohexane;ethane?
The IUPAC name of butan-2-ylcyclohexane;ethane (CID 143005290) is butan-2-ylcyclohexane;ethane.
What is the SMILES notation for butan-2-ylcyclohexane;ethane?
The canonical SMILES for butan-2-ylcyclohexane;ethane is CC.CC.CCC(C)C1CCCCC1.
What is the InChIKey of butan-2-ylcyclohexane;ethane?
The InChIKey is ATLCLMNRDXDMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.2C2H6/c1-3-9(2)10-7-5-4-6-8-10;2*1-2/h9-10H,3-8H2,1-2H3;2*1-2H3.
What are the key properties of butan-2-ylcyclohexane;ethane?
butan-2-ylcyclohexane;ethane has a molecular weight of 200.41 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylcyclohexane;ethane is sourced from PubChem (CID 143005290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).