1,2,3,4,5,6-hexaethylcyclohexane

C18H36 — CID 519497

IUPAC1,2,3,4,5,6-hexaethylcyclohexane
SMILESCCC1C(CC)C(CC)C(CC)C(CC)C1CC
InChIInChI=1S/C18H36/c1-7-13-14(8-2)16(10-4)18(12-6)17(11-5)15(13)9-3/h13-18H,7-12H2,1-6H3
InChIKeyFGKHJWVBPXIEEO-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.16
Rot. Bonds6

About 1,2,3,4,5,6-hexaethylcyclohexane

1,2,3,4,5,6-hexaethylcyclohexane (PubChem CID 519497) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexaethylcyclohexane.

Molecular Properties

Compound Name1,2,3,4,5,6-hexaethylcyclohexane
PubChem CID519497
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name1,2,3,4,5,6-hexaethylcyclohexane
SMILESCCC1C(CC)C(CC)C(CC)C(CC)C1CC
InChIInChI=1S/C18H36/c1-7-13-14(8-2)16(10-4)18(12-6)17(11-5)15(13)9-3/h13-18H,7-12H2,1-6H3
InChIKeyFGKHJWVBPXIEEO-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexaethylcyclohexane?
The IUPAC name of 1,2,3,4,5,6-hexaethylcyclohexane (CID 519497) is 1,2,3,4,5,6-hexaethylcyclohexane.
What is the SMILES notation for 1,2,3,4,5,6-hexaethylcyclohexane?
The canonical SMILES for 1,2,3,4,5,6-hexaethylcyclohexane is CCC1C(CC)C(CC)C(CC)C(CC)C1CC.
What is the InChIKey of 1,2,3,4,5,6-hexaethylcyclohexane?
The InChIKey is FGKHJWVBPXIEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-7-13-14(8-2)16(10-4)18(12-6)17(11-5)15(13)9-3/h13-18H,7-12H2,1-6H3.
What are the key properties of 1,2,3,4,5,6-hexaethylcyclohexane?
1,2,3,4,5,6-hexaethylcyclohexane has a molecular weight of 252.49 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexaethylcyclohexane is sourced from PubChem (CID 519497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).