1,4-dihexylcyclohexane

C18H36 — CID 22947938

IUPAC1,4-dihexylcyclohexane
SMILESCCCCCCC1CCC(CCCCCC)CC1
InChIInChI=1S/C18H36/c1-3-5-7-9-11-17-13-15-18(16-14-17)12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
InChIKeyNISYXSGVXWMZQC-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.73
Rot. Bonds10

About 1,4-dihexylcyclohexane

1,4-dihexylcyclohexane (PubChem CID 22947938) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 1,4-dihexylcyclohexane.

Molecular Properties

Compound Name1,4-dihexylcyclohexane
PubChem CID22947938
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name1,4-dihexylcyclohexane
SMILESCCCCCCC1CCC(CCCCCC)CC1
InChIInChI=1S/C18H36/c1-3-5-7-9-11-17-13-15-18(16-14-17)12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
InChIKeyNISYXSGVXWMZQC-UHFFFAOYSA-N
XLogP6.73
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 ≤ 56.73
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-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
azane;hexylcyclopropane
CID 135322230
hexane;pentylcyclopropane
CID 159592467
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-fluoro-4-heptylcyclohexane
CID 71196298
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461

Frequently Asked Questions

What is the IUPAC name of 1,4-dihexylcyclohexane?
The IUPAC name of 1,4-dihexylcyclohexane (CID 22947938) is 1,4-dihexylcyclohexane.
What is the SMILES notation for 1,4-dihexylcyclohexane?
The canonical SMILES for 1,4-dihexylcyclohexane is CCCCCCC1CCC(CCCCCC)CC1.
What is the InChIKey of 1,4-dihexylcyclohexane?
The InChIKey is NISYXSGVXWMZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-3-5-7-9-11-17-13-15-18(16-14-17)12-10-8-6-4-2/h17-18H,3-16H2,1-2H3.
What are the key properties of 1,4-dihexylcyclohexane?
1,4-dihexylcyclohexane has a molecular weight of 252.49 g/mol, XLogP of 6.73, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihexylcyclohexane is sourced from PubChem (CID 22947938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).