1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane

C19H36 — CID 15751895

IUPAC1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane
SMILESCC1CC(C)C(C)C(CC2CC(C)CC(C)C2C)C1
InChIInChI=1S/C19H36/c1-12-7-14(3)16(5)18(9-12)11-19-10-13(2)8-15(4)17(19)6/h12-19H,7-11H2,1-6H3
InChIKeyCBQNYRNSIUZGLJ-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.01
Rot. Bonds2

About 1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane

1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane (PubChem CID 15751895) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane.

Molecular Properties

Compound Name1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane
PubChem CID15751895
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane
SMILESCC1CC(C)C(C)C(CC2CC(C)CC(C)C2C)C1
InChIInChI=1S/C19H36/c1-12-7-14(3)16(5)18(9-12)11-19-10-13(2)8-15(4)17(19)6/h12-19H,7-11H2,1-6H3
InChIKeyCBQNYRNSIUZGLJ-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane?
The IUPAC name of 1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane (CID 15751895) is 1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane.
What is the SMILES notation for 1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane?
The canonical SMILES for 1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane is CC1CC(C)C(C)C(CC2CC(C)CC(C)C2C)C1.
What is the InChIKey of 1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane?
The InChIKey is CBQNYRNSIUZGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-12-7-14(3)16(5)18(9-12)11-19-10-13(2)8-15(4)17(19)6/h12-19H,7-11H2,1-6H3.
What are the key properties of 1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane?
1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane has a molecular weight of 264.50 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane is sourced from PubChem (CID 15751895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).