2-octadecoxyethenylcyclohexane

C26H50O — CID 57025931

IUPAC2-octadecoxyethenylcyclohexane
SMILESCCCCCCCCCCCCCCCCCCOC=CC1CCCCC1
InChIInChI=1S/C26H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-27-25-23-26-21-18-17-19-22-26/h23,25-26H,2-22,24H2,1H3
InChIKeyHYVMYJGLBYRWEA-UHFFFAOYSA-N
MW378.69 g/mol
LogP9.36
Rot. Bonds19

About 2-octadecoxyethenylcyclohexane

2-octadecoxyethenylcyclohexane (PubChem CID 57025931) has the molecular formula C26H50O and a molecular weight of 378.69 g/mol. Its IUPAC name is 2-octadecoxyethenylcyclohexane.

Molecular Properties

Compound Name2-octadecoxyethenylcyclohexane
PubChem CID57025931
Molecular FormulaC26H50O
Molecular Weight378.69 g/mol
Exact Mass378.39
IUPAC Name2-octadecoxyethenylcyclohexane
SMILESCCCCCCCCCCCCCCCCCCOC=CC1CCCCC1
InChIInChI=1S/C26H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-27-25-23-26-21-18-17-19-22-26/h23,25-26H,2-22,24H2,1H3
InChIKeyHYVMYJGLBYRWEA-UHFFFAOYSA-N
XLogP9.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.69
LogP ≤ 59.36
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

non-1-enylcyclopentane
CID 86065492
1-prop-1-enoxydecane
CID 54116737
butyl-(2-cyclohexylethenoxy)-methoxysilane
CID 154101034
1-[(E)-but-1-enoxy]heptane
CID 5366295
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
cyclohexanecarbaldehyde;formaldehyde;hexane;hydroperoxymethane;octane
CID 142384016
2-pentoxyethenol
CID 173159715
1-cyclohexyl-N-dodecylmethanimine
CID 177397055
tributyl-[(E)-2-cyclohexylethenyl]stannane
CID 10862246
cyclopropane;octadecane
CID 174865519
cyclopropane;icosane
CID 162221728

Frequently Asked Questions

What is the IUPAC name of 2-octadecoxyethenylcyclohexane?
The IUPAC name of 2-octadecoxyethenylcyclohexane (CID 57025931) is 2-octadecoxyethenylcyclohexane.
What is the SMILES notation for 2-octadecoxyethenylcyclohexane?
The canonical SMILES for 2-octadecoxyethenylcyclohexane is CCCCCCCCCCCCCCCCCCOC=CC1CCCCC1.
What is the InChIKey of 2-octadecoxyethenylcyclohexane?
The InChIKey is HYVMYJGLBYRWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-27-25-23-26-21-18-17-19-22-26/h23,25-26H,2-22,24H2,1H3.
What are the key properties of 2-octadecoxyethenylcyclohexane?
2-octadecoxyethenylcyclohexane has a molecular weight of 378.69 g/mol, XLogP of 9.36, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octadecoxyethenylcyclohexane is sourced from PubChem (CID 57025931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).