butan-2-ylcyclohexane;heptane

C17H36 — CID 143477095

IUPACbutan-2-ylcyclohexane;heptane
SMILESCCC(C)C1CCCCC1.CCCCCCC
InChIInChI=1S/C10H20.C7H16/c1-3-9(2)10-7-5-4-6-8-10;1-3-5-7-6-4-2/h9-10H,3-8H2,1-2H3;3-7H2,1-2H3
InChIKeyOXNMGRYQFYUABX-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.59
Rot. Bonds6

About butan-2-ylcyclohexane;heptane

butan-2-ylcyclohexane;heptane (PubChem CID 143477095) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is butan-2-ylcyclohexane;heptane.

Molecular Properties

Compound Namebutan-2-ylcyclohexane;heptane
PubChem CID143477095
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Namebutan-2-ylcyclohexane;heptane
SMILESCCC(C)C1CCCCC1.CCCCCCC
InChIInChI=1S/C10H20.C7H16/c1-3-9(2)10-7-5-4-6-8-10;1-3-5-7-6-4-2/h9-10H,3-8H2,1-2H3;3-7H2,1-2H3
InChIKeyOXNMGRYQFYUABX-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butan-2-ylcyclohexadecane
CID 123713671
butan-2-ylcyclohexane;ethane
CID 143005290
butan-2-ylcyclohexane;ethane;propane
CID 143477078
butan-2-ylcyclopentane;ethane
CID 143236269
1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptyldecylcycloheptane
CID 20559033
hexadecan-8-ylcyclohexane
CID 91510029
butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886
octan-2-ylcyclopropane
CID 18968125
1-methyl-5-(5-methylundecan-2-yl)cyclododecane
CID 123940441
undecan-5-ylcyclohexane
CID 524419

Frequently Asked Questions

What is the IUPAC name of butan-2-ylcyclohexane;heptane?
The IUPAC name of butan-2-ylcyclohexane;heptane (CID 143477095) is butan-2-ylcyclohexane;heptane.
What is the SMILES notation for butan-2-ylcyclohexane;heptane?
The canonical SMILES for butan-2-ylcyclohexane;heptane is CCC(C)C1CCCCC1.CCCCCCC.
What is the InChIKey of butan-2-ylcyclohexane;heptane?
The InChIKey is OXNMGRYQFYUABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C7H16/c1-3-9(2)10-7-5-4-6-8-10;1-3-5-7-6-4-2/h9-10H,3-8H2,1-2H3;3-7H2,1-2H3.
What are the key properties of butan-2-ylcyclohexane;heptane?
butan-2-ylcyclohexane;heptane has a molecular weight of 240.47 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylcyclohexane;heptane is sourced from PubChem (CID 143477095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).