butan-2-ylcyclohexadecane

C20H40 — CID 123713671

IUPACbutan-2-ylcyclohexadecane
SMILESCCC(C)C1CCCCCCCCCCCCCCC1
InChIInChI=1S/C20H40/c1-3-19(2)20-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20/h19-20H,3-18H2,1-2H3
InChIKeyXTAZXHJDUPZQDZ-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.51
Rot. Bonds2

About butan-2-ylcyclohexadecane

butan-2-ylcyclohexadecane (PubChem CID 123713671) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is butan-2-ylcyclohexadecane.

Molecular Properties

Compound Namebutan-2-ylcyclohexadecane
PubChem CID123713671
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Namebutan-2-ylcyclohexadecane
SMILESCCC(C)C1CCCCCCCCCCCCCCC1
InChIInChI=1S/C20H40/c1-3-19(2)20-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20/h19-20H,3-18H2,1-2H3
InChIKeyXTAZXHJDUPZQDZ-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butan-2-ylcyclohexane;ethane
CID 143005290
butan-2-ylcyclohexane;ethane;propane
CID 143477078
butan-2-ylcyclopentane;ethane
CID 143236269
butan-2-ylcyclohexane;heptane
CID 143477095
butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane
CID 177138438
2-cyclododecylpropan-1-ol;ethanol
CID 69400645
butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886
1-butan-2-yl-4-methylcyclohexane
CID 20676481
(2R)-2-cyclohexylpropan-1-ol
CID 10176192
(2S)-2-cycloheptylpropan-1-amine
CID 96634967
1,5,9-tri(butan-2-yl)-phosphacyclododecane
CID 57175302

Frequently Asked Questions

What is the IUPAC name of butan-2-ylcyclohexadecane?
The IUPAC name of butan-2-ylcyclohexadecane (CID 123713671) is butan-2-ylcyclohexadecane.
What is the SMILES notation for butan-2-ylcyclohexadecane?
The canonical SMILES for butan-2-ylcyclohexadecane is CCC(C)C1CCCCCCCCCCCCCCC1.
What is the InChIKey of butan-2-ylcyclohexadecane?
The InChIKey is XTAZXHJDUPZQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-3-19(2)20-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20/h19-20H,3-18H2,1-2H3.
What are the key properties of butan-2-ylcyclohexadecane?
butan-2-ylcyclohexadecane has a molecular weight of 280.54 g/mol, XLogP of 7.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylcyclohexadecane is sourced from PubChem (CID 123713671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).