ethenoxycyclohexane;2-(4-methylpent-1-enoxy)ethenylcyclohexane

C22H38O2 — CID 68596329

IUPACethenoxycyclohexane;2-(4-methylpent-1-enoxy)ethenylcyclohexane
SMILESC=COC1CCCCC1.CC(C)CC=COC=CC1CCCCC1
InChIInChI=1S/C14H24O.C8H14O/c1-13(2)7-6-11-15-12-10-14-8-4-3-5-9-14;1-2-9-8-6-4-3-5-7-8/h6,10-14H,3-5,7-9H2,1-2H3;2,8H,1,3-7H2
InChIKeyDAJONJCASNTPSI-UHFFFAOYSA-N
MW334.54 g/mol
LogP7.14
Rot. Bonds7

About ethenoxycyclohexane;2-(4-methylpent-1-enoxy)ethenylcyclohexane

ethenoxycyclohexane;2-(4-methylpent-1-enoxy)ethenylcyclohexane (PubChem CID 68596329) has the molecular formula C22H38O2 and a molecular weight of 334.54 g/mol. Its IUPAC name is ethenoxycyclohexane;2-(4-methylpent-1-enoxy)ethenylcyclohexane.

Molecular Properties

Compound Nameethenoxycyclohexane;2-(4-methylpent-1-enoxy)ethenylcyclohexane
PubChem CID68596329
Molecular FormulaC22H38O2
Molecular Weight334.54 g/mol
Exact Mass334.29
IUPAC Nameethenoxycyclohexane;2-(4-methylpent-1-enoxy)ethenylcyclohexane
SMILESC=COC1CCCCC1.CC(C)CC=COC=CC1CCCCC1
InChIInChI=1S/C14H24O.C8H14O/c1-13(2)7-6-11-15-12-10-14-8-4-3-5-9-14;1-2-9-8-6-4-3-5-7-8/h6,10-14H,3-5,7-9H2,1-2H3;2,8H,1,3-7H2
InChIKeyDAJONJCASNTPSI-UHFFFAOYSA-N
XLogP7.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-enyl-4-[2-[4-[(E)-hex-1-enoxy]cyclohexyl]ethyl]cyclohexane
CID 19834837
1-but-3-enyl-4-[4-[(E)-hex-1-enoxy]cyclohexyl]cyclohexane
CID 19834847
1-[(E)-but-1-enoxy]-4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexane
CID 19834848
1-[(E)-but-1-enoxy]-4-(4-but-3-enylcyclohexyl)cyclohexane
CID 19834852
1-but-3-enyl-4-[2-[4-[(E)-pent-1-enoxy]cyclohexyl]ethyl]cyclohexane
CID 19834853
1-but-3-enyl-4-[4-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane
CID 19834871
1-[(E)-2-methoxyethenyl]-4-propoxycyclohexane
CID 20497774
1-(1-Cyclohexylethenoxy)ethenylcyclohexane;1-ethenoxy-2-methylpropane
CID 22074875
trans-2-(4-n-Propyloxycyclohexyl)vinyl methyl ether
CID 56632601
2-Octadecoxyethenylcyclohexane
CID 57025931
2-Hex-1-enoxybutylcyclohexane
CID 57035436
2-Hept-1-enoxypropylcyclohexane
CID 57050875

Frequently Asked Questions

What is the IUPAC name of ethenoxycyclohexane;2-(4-methylpent-1-enoxy)ethenylcyclohexane?
The IUPAC name of ethenoxycyclohexane;2-(4-methylpent-1-enoxy)ethenylcyclohexane (CID 68596329) is ethenoxycyclohexane;2-(4-methylpent-1-enoxy)ethenylcyclohexane.
What is the SMILES notation for ethenoxycyclohexane;2-(4-methylpent-1-enoxy)ethenylcyclohexane?
The canonical SMILES for ethenoxycyclohexane;2-(4-methylpent-1-enoxy)ethenylcyclohexane is C=COC1CCCCC1.CC(C)CC=COC=CC1CCCCC1.
What is the InChIKey of ethenoxycyclohexane;2-(4-methylpent-1-enoxy)ethenylcyclohexane?
The InChIKey is DAJONJCASNTPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O.C8H14O/c1-13(2)7-6-11-15-12-10-14-8-4-3-5-9-14;1-2-9-8-6-4-3-5-7-8/h6,10-14H,3-5,7-9H2,1-2H3;2,8H,1,3-7H2.
What are the key properties of ethenoxycyclohexane;2-(4-methylpent-1-enoxy)ethenylcyclohexane?
ethenoxycyclohexane;2-(4-methylpent-1-enoxy)ethenylcyclohexane has a molecular weight of 334.54 g/mol, XLogP of 7.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxycyclohexane;2-(4-methylpent-1-enoxy)ethenylcyclohexane is sourced from PubChem (CID 68596329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).