1-methyl-3-octadecylcyclohexane

C25H50 — CID 175465709

IUPAC1-methyl-3-octadecylcyclohexane
SMILESCCCCCCCCCCCCCCCCCCC1CCCC(C)C1
InChIInChI=1S/C25H50/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-22-19-20-24(2)23-25/h24-25H,3-23H2,1-2H3
InChIKeyWIKQMTGJRBPMCZ-UHFFFAOYSA-N
MW350.68 g/mol
LogP9.46
Rot. Bonds17

About 1-methyl-3-octadecylcyclohexane

1-methyl-3-octadecylcyclohexane (PubChem CID 175465709) has the molecular formula C25H50 and a molecular weight of 350.68 g/mol. Its IUPAC name is 1-methyl-3-octadecylcyclohexane.

Molecular Properties

Compound Name1-methyl-3-octadecylcyclohexane
PubChem CID175465709
Molecular FormulaC25H50
Molecular Weight350.68 g/mol
Exact Mass350.39
IUPAC Name1-methyl-3-octadecylcyclohexane
SMILESCCCCCCCCCCCCCCCCCCC1CCCC(C)C1
InChIInChI=1S/C25H50/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-22-19-20-24(2)23-25/h24-25H,3-23H2,1-2H3
InChIKeyWIKQMTGJRBPMCZ-UHFFFAOYSA-N
XLogP9.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.68
LogP ≤ 59.46
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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Related Compounds

1-methyl-3-octylcyclohexane
CID 54298070
1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen
CID 158750937
1-hexyl-3,9-dimethylcyclononadecane
CID 59972329
1,3-diheptylcyclohexane
CID 19973333
1,3-dipentylcyclohexane
CID 54105663
1-methyl-4-pentylcycloheptane
CID 123318058
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
3-heptylcyclohexan-1-ol
CID 64515801
bis(1-butyl-3-methylcyclopentane);carbanide;zirconium(4+)
CID 23232814
3-hexylcyclohexane-1-carboxylic acid
CID 66817282
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-octadecylcyclohexane?
The IUPAC name of 1-methyl-3-octadecylcyclohexane (CID 175465709) is 1-methyl-3-octadecylcyclohexane.
What is the SMILES notation for 1-methyl-3-octadecylcyclohexane?
The canonical SMILES for 1-methyl-3-octadecylcyclohexane is CCCCCCCCCCCCCCCCCCC1CCCC(C)C1.
What is the InChIKey of 1-methyl-3-octadecylcyclohexane?
The InChIKey is WIKQMTGJRBPMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-22-19-20-24(2)23-25/h24-25H,3-23H2,1-2H3.
What are the key properties of 1-methyl-3-octadecylcyclohexane?
1-methyl-3-octadecylcyclohexane has a molecular weight of 350.68 g/mol, XLogP of 9.46, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-octadecylcyclohexane is sourced from PubChem (CID 175465709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).