1-hexyl-4-(1-methoxyethenyl)cyclohexane

C15H28O — CID 163498140

IUPAC1-hexyl-4-(1-methoxyethenyl)cyclohexane
SMILESC=C(OC)C1CCC(CCCCCC)CC1
InChIInChI=1S/C15H28O/c1-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16-3/h14-15H,2,4-12H2,1,3H3
InChIKeyCSLLHTRTKQCQMG-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.92
Rot. Bonds7

About 1-hexyl-4-(1-methoxyethenyl)cyclohexane

1-hexyl-4-(1-methoxyethenyl)cyclohexane (PubChem CID 163498140) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-hexyl-4-(1-methoxyethenyl)cyclohexane.

Molecular Properties

Compound Name1-hexyl-4-(1-methoxyethenyl)cyclohexane
PubChem CID163498140
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-hexyl-4-(1-methoxyethenyl)cyclohexane
SMILESC=C(OC)C1CCC(CCCCCC)CC1
InChIInChI=1S/C15H28O/c1-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16-3/h14-15H,2,4-12H2,1,3H3
InChIKeyCSLLHTRTKQCQMG-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
azane;hexylcyclopropane
CID 135322230
hexane;pentylcyclopropane
CID 159592467
4-heptylcyclohexane-1-carboxylic acid;hydrochloride
CID 70374677
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-(4-pentylcyclohexyl)ethanone
CID 13278013
4-pentylcyclohexane-1-carboxylate
CID 6993970

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-(1-methoxyethenyl)cyclohexane?
The IUPAC name of 1-hexyl-4-(1-methoxyethenyl)cyclohexane (CID 163498140) is 1-hexyl-4-(1-methoxyethenyl)cyclohexane.
What is the SMILES notation for 1-hexyl-4-(1-methoxyethenyl)cyclohexane?
The canonical SMILES for 1-hexyl-4-(1-methoxyethenyl)cyclohexane is C=C(OC)C1CCC(CCCCCC)CC1.
What is the InChIKey of 1-hexyl-4-(1-methoxyethenyl)cyclohexane?
The InChIKey is CSLLHTRTKQCQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16-3/h14-15H,2,4-12H2,1,3H3.
What are the key properties of 1-hexyl-4-(1-methoxyethenyl)cyclohexane?
1-hexyl-4-(1-methoxyethenyl)cyclohexane has a molecular weight of 224.39 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-(1-methoxyethenyl)cyclohexane is sourced from PubChem (CID 163498140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).