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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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).