1-methyl-1-undecylcyclohexane

C18H36 — CID 86137257

IUPAC1-methyl-1-undecylcyclohexane
SMILESCCCCCCCCCCCC1(C)CCCCC1
InChIInChI=1S/C18H36/c1-3-4-5-6-7-8-9-10-12-15-18(2)16-13-11-14-17-18/h3-17H2,1-2H3
InChIKeyBMYPPRINKWQLKH-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.88
Rot. Bonds10

About 1-methyl-1-undecylcyclohexane

1-methyl-1-undecylcyclohexane (PubChem CID 86137257) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 1-methyl-1-undecylcyclohexane.

Molecular Properties

Compound Name1-methyl-1-undecylcyclohexane
PubChem CID86137257
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name1-methyl-1-undecylcyclohexane
SMILESCCCCCCCCCCCC1(C)CCCCC1
InChIInChI=1S/C18H36/c1-3-4-5-6-7-8-9-10-12-15-18(2)16-13-11-14-17-18/h3-17H2,1-2H3
InChIKeyBMYPPRINKWQLKH-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.88
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-methyl-1-undecylcyclohexane?
The IUPAC name of 1-methyl-1-undecylcyclohexane (CID 86137257) is 1-methyl-1-undecylcyclohexane.
What is the SMILES notation for 1-methyl-1-undecylcyclohexane?
The canonical SMILES for 1-methyl-1-undecylcyclohexane is CCCCCCCCCCCC1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-undecylcyclohexane?
The InChIKey is BMYPPRINKWQLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-3-4-5-6-7-8-9-10-12-15-18(2)16-13-11-14-17-18/h3-17H2,1-2H3.
What are the key properties of 1-methyl-1-undecylcyclohexane?
1-methyl-1-undecylcyclohexane has a molecular weight of 252.49 g/mol, XLogP of 6.88, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-undecylcyclohexane is sourced from PubChem (CID 86137257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).