1-cyclohexyl-1-methoxydodecan-2-one

C19H36O2 — CID 116751080

IUPAC1-cyclohexyl-1-methoxydodecan-2-one
SMILESCCCCCCCCCCC(=O)C(OC)C1CCCCC1
InChIInChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-13-16-18(20)19(21-2)17-14-11-10-12-15-17/h17,19H,3-16H2,1-2H3
InChIKeyCLTBZTZBQCXBGO-UHFFFAOYSA-N
MW296.50 g/mol
LogP5.68
Rot. Bonds12

About 1-cyclohexyl-1-methoxydodecan-2-one

1-cyclohexyl-1-methoxydodecan-2-one (PubChem CID 116751080) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-cyclohexyl-1-methoxydodecan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-methoxydodecan-2-one
PubChem CID116751080
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name1-cyclohexyl-1-methoxydodecan-2-one
SMILESCCCCCCCCCCC(=O)C(OC)C1CCCCC1
InChIInChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-13-16-18(20)19(21-2)17-14-11-10-12-15-17/h17,19H,3-16H2,1-2H3
InChIKeyCLTBZTZBQCXBGO-UHFFFAOYSA-N
XLogP5.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-1-methoxydodecan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methoxydodecan-2-one?
The IUPAC name of 1-cyclohexyl-1-methoxydodecan-2-one (CID 116751080) is 1-cyclohexyl-1-methoxydodecan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-methoxydodecan-2-one?
The canonical SMILES for 1-cyclohexyl-1-methoxydodecan-2-one is CCCCCCCCCCC(=O)C(OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methoxydodecan-2-one?
The InChIKey is CLTBZTZBQCXBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-13-16-18(20)19(21-2)17-14-11-10-12-15-17/h17,19H,3-16H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-methoxydodecan-2-one?
1-cyclohexyl-1-methoxydodecan-2-one has a molecular weight of 296.50 g/mol, XLogP of 5.68, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methoxydodecan-2-one is sourced from PubChem (CID 116751080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).