butan-2-ylcyclohexane;ethane;propane

C17H40 — CID 143477078

IUPACbutan-2-ylcyclohexane;ethane;propane
SMILESCC.CC.CCC.CCC(C)C1CCCCC1
InChIInChI=1S/C10H20.C3H8.2C2H6/c1-3-9(2)10-7-5-4-6-8-10;1-3-2;2*1-2/h9-10H,3-8H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyATWPTXCZUHDJBJ-UHFFFAOYSA-N
MW244.51 g/mol
LogP7.08
Rot. Bonds2

About butan-2-ylcyclohexane;ethane;propane

butan-2-ylcyclohexane;ethane;propane (PubChem CID 143477078) has the molecular formula C17H40 and a molecular weight of 244.51 g/mol. Its IUPAC name is butan-2-ylcyclohexane;ethane;propane.

Molecular Properties

Compound Namebutan-2-ylcyclohexane;ethane;propane
PubChem CID143477078
Molecular FormulaC17H40
Molecular Weight244.51 g/mol
Exact Mass244.31
IUPAC Namebutan-2-ylcyclohexane;ethane;propane
SMILESCC.CC.CCC.CCC(C)C1CCCCC1
InChIInChI=1S/C10H20.C3H8.2C2H6/c1-3-9(2)10-7-5-4-6-8-10;1-3-2;2*1-2/h9-10H,3-8H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyATWPTXCZUHDJBJ-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.51
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butan-2-ylcyclohexane;ethane
CID 143005290
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
propane;propan-2-ylcyclopentane
CID 91615250
butane;pentan-2-ylcyclohexane
CID 143682251
2-cyclododecylpropan-1-ol;ethanol
CID 69400645
4-[(2R)-butan-2-yl]piperidine;ethane
CID 142032949
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;propane?
The IUPAC name of butan-2-ylcyclohexane;ethane;propane (CID 143477078) is butan-2-ylcyclohexane;ethane;propane.
What is the SMILES notation for butan-2-ylcyclohexane;ethane;propane?
The canonical SMILES for butan-2-ylcyclohexane;ethane;propane is CC.CC.CCC.CCC(C)C1CCCCC1.
What is the InChIKey of butan-2-ylcyclohexane;ethane;propane?
The InChIKey is ATWPTXCZUHDJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C3H8.2C2H6/c1-3-9(2)10-7-5-4-6-8-10;1-3-2;2*1-2/h9-10H,3-8H2,1-2H3;3H2,1-2H3;2*1-2H3.
What are the key properties of butan-2-ylcyclohexane;ethane;propane?
butan-2-ylcyclohexane;ethane;propane has a molecular weight of 244.51 g/mol, XLogP of 7.08, 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;propane is sourced from PubChem (CID 143477078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).