1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane

C19H36O — CID 20516714

IUPAC1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane
SMILESCCCCCC1CCC(OCC2CCC(C)CC2)CC1
InChIInChI=1S/C19H36O/c1-3-4-5-6-17-11-13-19(14-12-17)20-15-18-9-7-16(2)8-10-18/h16-19H,3-15H2,1-2H3
InChIKeyKTBAQLDUJUURLV-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.97
Rot. Bonds7

About 1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane

1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane (PubChem CID 20516714) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane
PubChem CID20516714
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane
SMILESCCCCCC1CCC(OCC2CCC(C)CC2)CC1
InChIInChI=1S/C19H36O/c1-3-4-5-6-17-11-13-19(14-12-17)20-15-18-9-7-16(2)8-10-18/h16-19H,3-15H2,1-2H3
InChIKeyKTBAQLDUJUURLV-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane with MolForge

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

Launch Full Analysis

Related Compounds

4-[(4-heptylcyclohexyl)oxymethyl]cyclohexane-1-carbonitrile
CID 20516716
1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886280
1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane
CID 137428589
1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane
CID 19738835
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886323
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
3-[4-[(4-pentylcyclohexyl)methoxy]cyclohexyl]prop-2-enenitrile
CID 54255685

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane?
The IUPAC name of 1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane (CID 20516714) is 1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane is CCCCCC1CCC(OCC2CCC(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane?
The InChIKey is KTBAQLDUJUURLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-3-4-5-6-17-11-13-19(14-12-17)20-15-18-9-7-16(2)8-10-18/h16-19H,3-15H2,1-2H3.
What are the key properties of 1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane?
1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane has a molecular weight of 280.50 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane is sourced from PubChem (CID 20516714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).