1,2-bis(ethoxymethylidene)cyclooctane

C14H24O2 — CID 134902758

IUPAC1,2-bis(ethoxymethylidene)cyclooctane
SMILESCCOC=C1CCCCCCC1=COCC
InChIInChI=1S/C14H24O2/c1-3-15-11-13-9-7-5-6-8-10-14(13)12-16-4-2/h11-12H,3-10H2,1-2H3
InChIKeyLWHQBRLGCJQOMX-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.18
Rot. Bonds4

About 1,2-bis(ethoxymethylidene)cyclooctane

1,2-bis(ethoxymethylidene)cyclooctane (PubChem CID 134902758) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1,2-bis(ethoxymethylidene)cyclooctane.

Molecular Properties

Compound Name1,2-bis(ethoxymethylidene)cyclooctane
PubChem CID134902758
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1,2-bis(ethoxymethylidene)cyclooctane
SMILESCCOC=C1CCCCCCC1=COCC
InChIInChI=1S/C14H24O2/c1-3-15-11-13-9-7-5-6-8-10-14(13)12-16-4-2/h11-12H,3-10H2,1-2H3
InChIKeyLWHQBRLGCJQOMX-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.18
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 1,2-bis(ethoxymethylidene)cyclooctane?
The IUPAC name of 1,2-bis(ethoxymethylidene)cyclooctane (CID 134902758) is 1,2-bis(ethoxymethylidene)cyclooctane.
What is the SMILES notation for 1,2-bis(ethoxymethylidene)cyclooctane?
The canonical SMILES for 1,2-bis(ethoxymethylidene)cyclooctane is CCOC=C1CCCCCCC1=COCC.
What is the InChIKey of 1,2-bis(ethoxymethylidene)cyclooctane?
The InChIKey is LWHQBRLGCJQOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-15-11-13-9-7-5-6-8-10-14(13)12-16-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1,2-bis(ethoxymethylidene)cyclooctane?
1,2-bis(ethoxymethylidene)cyclooctane has a molecular weight of 224.34 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethoxymethylidene)cyclooctane is sourced from PubChem (CID 134902758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).