1,4-bis(ethenoxymethylidene)cyclohexane

C12H16O2 — CID 155762012

IUPAC1,4-bis(ethenoxymethylidene)cyclohexane
SMILESC=COC=C1CCC(=COC=C)CC1
InChIInChI=1S/C12H16O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-4,9-10H,1-2,5-8H2/b11-9-,12-10+
InChIKeyDOUSXVBXIQYZLI-DSOJMZEYSA-N
MW192.26 g/mol
LogP3.65
Rot. Bonds4

About 1,4-bis(ethenoxymethylidene)cyclohexane

1,4-bis(ethenoxymethylidene)cyclohexane (PubChem CID 155762012) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1,4-bis(ethenoxymethylidene)cyclohexane.

Molecular Properties

Compound Name1,4-bis(ethenoxymethylidene)cyclohexane
PubChem CID155762012
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1,4-bis(ethenoxymethylidene)cyclohexane
SMILESC=COC=C1CCC(=COC=C)CC1
InChIInChI=1S/C12H16O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-4,9-10H,1-2,5-8H2/b11-9-,12-10+
InChIKeyDOUSXVBXIQYZLI-DSOJMZEYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.65
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

(Methoxymethylene)cyclohexane
CID 12261950
Butoxymethylidenecyclohexane
CID 12794829
Ethyl-propyl-vinyl ether
CID 129736118
(Ethoxymethylene)cyclohexane
CID 12361524
1,4-Bis(methoxymethylidene)cyclohexane
CID 53861251
(3E)-3-(methoxymethylidene)hexane
CID 88939279
1,1,2,2,3,3,4,4,5,5-Decadeuterio-6-(methoxymethylidene)cyclohexane
CID 89398682
3-(Methoxymethylidene)hexane
CID 123136239
Propoxymethylidenecyclohexane
CID 140106535
3-propyl-4H-pyran
CID 146853790
1-Methoxy-2-methylhex-1-ene
CID 150215041
1-[2-(2-Ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane
CID 156647449

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethenoxymethylidene)cyclohexane?
The IUPAC name of 1,4-bis(ethenoxymethylidene)cyclohexane (CID 155762012) is 1,4-bis(ethenoxymethylidene)cyclohexane.
What is the SMILES notation for 1,4-bis(ethenoxymethylidene)cyclohexane?
The canonical SMILES for 1,4-bis(ethenoxymethylidene)cyclohexane is C=COC=C1CCC(=COC=C)CC1.
What is the InChIKey of 1,4-bis(ethenoxymethylidene)cyclohexane?
The InChIKey is DOUSXVBXIQYZLI-DSOJMZEYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-4,9-10H,1-2,5-8H2/b11-9-,12-10+.
What are the key properties of 1,4-bis(ethenoxymethylidene)cyclohexane?
1,4-bis(ethenoxymethylidene)cyclohexane has a molecular weight of 192.26 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenoxymethylidene)cyclohexane is sourced from PubChem (CID 155762012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).