(2,4-dimethylcyclohexyl)cyclononane

C17H32 — CID 163705330

IUPAC(2,4-dimethylcyclohexyl)cyclononane
SMILESCC1CCC(C2CCCCCCCC2)C(C)C1
InChIInChI=1S/C17H32/c1-14-11-12-17(15(2)13-14)16-9-7-5-3-4-6-8-10-16/h14-17H,3-13H2,1-2H3
InChIKeyLHZLLZKAAXFNGF-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.81
Rot. Bonds1

About (2,4-dimethylcyclohexyl)cyclononane

(2,4-dimethylcyclohexyl)cyclononane (PubChem CID 163705330) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is (2,4-dimethylcyclohexyl)cyclononane.

Molecular Properties

Compound Name(2,4-dimethylcyclohexyl)cyclononane
PubChem CID163705330
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name(2,4-dimethylcyclohexyl)cyclononane
SMILESCC1CCC(C2CCCCCCCC2)C(C)C1
InChIInChI=1S/C17H32/c1-14-11-12-17(15(2)13-14)16-9-7-5-3-4-6-8-10-16/h14-17H,3-13H2,1-2H3
InChIKeyLHZLLZKAAXFNGF-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane
CID 58552269
(1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane
CID 162245394
(2-methylcyclopropyl)cyclooctane
CID 19768877
(1S,3R,4aR,8aS)-1,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751792
(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 97102805
(1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751812
(1S,4aS,6S,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751793
2-methylbicyclo[5.2.0]nonane
CID 90842882
3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 140574034
3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde
CID 88851773
(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160
2-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 71773994

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylcyclohexyl)cyclononane?
The IUPAC name of (2,4-dimethylcyclohexyl)cyclononane (CID 163705330) is (2,4-dimethylcyclohexyl)cyclononane.
What is the SMILES notation for (2,4-dimethylcyclohexyl)cyclononane?
The canonical SMILES for (2,4-dimethylcyclohexyl)cyclononane is CC1CCC(C2CCCCCCCC2)C(C)C1.
What is the InChIKey of (2,4-dimethylcyclohexyl)cyclononane?
The InChIKey is LHZLLZKAAXFNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-14-11-12-17(15(2)13-14)16-9-7-5-3-4-6-8-10-16/h14-17H,3-13H2,1-2H3.
What are the key properties of (2,4-dimethylcyclohexyl)cyclononane?
(2,4-dimethylcyclohexyl)cyclononane has a molecular weight of 236.44 g/mol, XLogP of 5.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylcyclohexyl)cyclononane is sourced from PubChem (CID 163705330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).