butylcyclohexane;4-ethylundecane

C23H48 — CID 174961774

IUPACbutylcyclohexane;4-ethylundecane
SMILESCCCCC1CCCCC1.CCCCCCCC(CC)CCC
InChIInChI=1S/C13H28.C10H20/c1-4-7-8-9-10-12-13(6-3)11-5-2;1-2-3-7-10-8-5-4-6-9-10/h13H,4-12H2,1-3H3;10H,2-9H2,1H3
InChIKeyKVAGIPQZUHOZMB-UHFFFAOYSA-N
MW324.64 g/mol
LogP8.93
Rot. Bonds12

About butylcyclohexane;4-ethylundecane

butylcyclohexane;4-ethylundecane (PubChem CID 174961774) has the molecular formula C23H48 and a molecular weight of 324.64 g/mol. Its IUPAC name is butylcyclohexane;4-ethylundecane.

Molecular Properties

Compound Namebutylcyclohexane;4-ethylundecane
PubChem CID174961774
Molecular FormulaC23H48
Molecular Weight324.64 g/mol
Exact Mass324.38
IUPAC Namebutylcyclohexane;4-ethylundecane
SMILESCCCCC1CCCCC1.CCCCCCCC(CC)CCC
InChIInChI=1S/C13H28.C10H20/c1-4-7-8-9-10-12-13(6-3)11-5-2;1-2-3-7-10-8-5-4-6-9-10/h13H,4-12H2,1-3H3;10H,2-9H2,1H3
InChIKeyKVAGIPQZUHOZMB-UHFFFAOYSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.64
LogP ≤ 58.93
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

3-ethylhexylcyclopentane
CID 123372890
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
4-ethylnonadecane
CID 22223766
4-ethylhexadecane
CID 528433
azane;heptylcyclohexane
CID 121434222
8-(3-ethylhexyl)hexadecane
CID 123944120
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
12-ethylhentriacontane
CID 91805956

Frequently Asked Questions

What is the IUPAC name of butylcyclohexane;4-ethylundecane?
The IUPAC name of butylcyclohexane;4-ethylundecane (CID 174961774) is butylcyclohexane;4-ethylundecane.
What is the SMILES notation for butylcyclohexane;4-ethylundecane?
The canonical SMILES for butylcyclohexane;4-ethylundecane is CCCCC1CCCCC1.CCCCCCCC(CC)CCC.
What is the InChIKey of butylcyclohexane;4-ethylundecane?
The InChIKey is KVAGIPQZUHOZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28.C10H20/c1-4-7-8-9-10-12-13(6-3)11-5-2;1-2-3-7-10-8-5-4-6-9-10/h13H,4-12H2,1-3H3;10H,2-9H2,1H3.
What are the key properties of butylcyclohexane;4-ethylundecane?
butylcyclohexane;4-ethylundecane has a molecular weight of 324.64 g/mol, XLogP of 8.93, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butylcyclohexane;4-ethylundecane is sourced from PubChem (CID 174961774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).