1-methyl-3-octylcyclohexane

C15H30 — CID 54298070

IUPAC1-methyl-3-octylcyclohexane
SMILESCCCCCCCCC1CCCC(C)C1
InChIInChI=1S/C15H30/c1-3-4-5-6-7-8-11-15-12-9-10-14(2)13-15/h14-15H,3-13H2,1-2H3
InChIKeyOANQNEZHJJDFEV-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.56
Rot. Bonds7

About 1-methyl-3-octylcyclohexane

1-methyl-3-octylcyclohexane (PubChem CID 54298070) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1-methyl-3-octylcyclohexane.

Molecular Properties

Compound Name1-methyl-3-octylcyclohexane
PubChem CID54298070
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1-methyl-3-octylcyclohexane
SMILESCCCCCCCCC1CCCC(C)C1
InChIInChI=1S/C15H30/c1-3-4-5-6-7-8-11-15-12-9-10-14(2)13-15/h14-15H,3-13H2,1-2H3
InChIKeyOANQNEZHJJDFEV-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.56
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-octadecylcyclohexane
CID 175465709
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-octylcyclohexane?
The IUPAC name of 1-methyl-3-octylcyclohexane (CID 54298070) is 1-methyl-3-octylcyclohexane.
What is the SMILES notation for 1-methyl-3-octylcyclohexane?
The canonical SMILES for 1-methyl-3-octylcyclohexane is CCCCCCCCC1CCCC(C)C1.
What is the InChIKey of 1-methyl-3-octylcyclohexane?
The InChIKey is OANQNEZHJJDFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-3-4-5-6-7-8-11-15-12-9-10-14(2)13-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-methyl-3-octylcyclohexane?
1-methyl-3-octylcyclohexane has a molecular weight of 210.40 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-octylcyclohexane is sourced from PubChem (CID 54298070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).