3,5,6-trimethylheptylcyclohexane

C16H32 — CID 123254149

IUPAC3,5,6-trimethylheptylcyclohexane
SMILESCC(CCC1CCCCC1)CC(C)C(C)C
InChIInChI=1S/C16H32/c1-13(2)15(4)12-14(3)10-11-16-8-6-5-7-9-16/h13-16H,5-12H2,1-4H3
InChIKeyBOWGCFMRMDEJAL-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.67
Rot. Bonds6

About 3,5,6-trimethylheptylcyclohexane

3,5,6-trimethylheptylcyclohexane (PubChem CID 123254149) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 3,5,6-trimethylheptylcyclohexane.

Molecular Properties

Compound Name3,5,6-trimethylheptylcyclohexane
PubChem CID123254149
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name3,5,6-trimethylheptylcyclohexane
SMILESCC(CCC1CCCCC1)CC(C)C(C)C
InChIInChI=1S/C16H32/c1-13(2)15(4)12-14(3)10-11-16-8-6-5-7-9-16/h13-16H,5-12H2,1-4H3
InChIKeyBOWGCFMRMDEJAL-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethylheptylcyclohexane?
The IUPAC name of 3,5,6-trimethylheptylcyclohexane (CID 123254149) is 3,5,6-trimethylheptylcyclohexane.
What is the SMILES notation for 3,5,6-trimethylheptylcyclohexane?
The canonical SMILES for 3,5,6-trimethylheptylcyclohexane is CC(CCC1CCCCC1)CC(C)C(C)C.
What is the InChIKey of 3,5,6-trimethylheptylcyclohexane?
The InChIKey is BOWGCFMRMDEJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-13(2)15(4)12-14(3)10-11-16-8-6-5-7-9-16/h13-16H,5-12H2,1-4H3.
What are the key properties of 3,5,6-trimethylheptylcyclohexane?
3,5,6-trimethylheptylcyclohexane has a molecular weight of 224.43 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethylheptylcyclohexane is sourced from PubChem (CID 123254149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).