1,2-diethyl-1-hexylcyclohexane

C16H32 — CID 46898843

IUPAC1,2-diethyl-1-hexylcyclohexane
SMILESCCCCCCC1(CC)CCCCC1CC
InChIInChI=1S/C16H32/c1-4-7-8-10-13-16(6-3)14-11-9-12-15(16)5-2/h15H,4-14H2,1-3H3
InChIKeyVIELUKCWCINATC-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.95
Rot. Bonds7

About 1,2-diethyl-1-hexylcyclohexane

1,2-diethyl-1-hexylcyclohexane (PubChem CID 46898843) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1,2-diethyl-1-hexylcyclohexane.

Molecular Properties

Compound Name1,2-diethyl-1-hexylcyclohexane
PubChem CID46898843
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1,2-diethyl-1-hexylcyclohexane
SMILESCCCCCCC1(CC)CCCCC1CC
InChIInChI=1S/C16H32/c1-4-7-8-10-13-16(6-3)14-11-9-12-15(16)5-2/h15H,4-14H2,1-3H3
InChIKeyVIELUKCWCINATC-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.95
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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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-1-hexylcyclohexane?
The IUPAC name of 1,2-diethyl-1-hexylcyclohexane (CID 46898843) is 1,2-diethyl-1-hexylcyclohexane.
What is the SMILES notation for 1,2-diethyl-1-hexylcyclohexane?
The canonical SMILES for 1,2-diethyl-1-hexylcyclohexane is CCCCCCC1(CC)CCCCC1CC.
What is the InChIKey of 1,2-diethyl-1-hexylcyclohexane?
The InChIKey is VIELUKCWCINATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-4-7-8-10-13-16(6-3)14-11-9-12-15(16)5-2/h15H,4-14H2,1-3H3.
What are the key properties of 1,2-diethyl-1-hexylcyclohexane?
1,2-diethyl-1-hexylcyclohexane has a molecular weight of 224.43 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-1-hexylcyclohexane is sourced from PubChem (CID 46898843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).