ethenoxycyclohexane;ethenoxyethane

C12H22O2 — CID 170851929

IUPACethenoxycyclohexane;ethenoxyethane
SMILESC=COC1CCCCC1.C=COCC
InChIInChI=1S/C8H14O.C4H8O/c1-2-9-8-6-4-3-5-7-8;1-3-5-4-2/h2,8H,1,3-7H2;3H,1,4H2,2H3
InChIKeyRANFAWISHQBNRG-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.65
Rot. Bonds4

About ethenoxycyclohexane;ethenoxyethane

ethenoxycyclohexane;ethenoxyethane (PubChem CID 170851929) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is ethenoxycyclohexane;ethenoxyethane.

Molecular Properties

Compound Nameethenoxycyclohexane;ethenoxyethane
PubChem CID170851929
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Nameethenoxycyclohexane;ethenoxyethane
SMILESC=COC1CCCCC1.C=COCC
InChIInChI=1S/C8H14O.C4H8O/c1-2-9-8-6-4-3-5-7-8;1-3-5-4-2/h2,8H,1,3-7H2;3H,1,4H2,2H3
InChIKeyRANFAWISHQBNRG-UHFFFAOYSA-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 ≤ 500198.31
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'}

Analyze ethenoxycyclohexane;ethenoxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethenoxycyclohexane;ethenoxyethane?
The IUPAC name of ethenoxycyclohexane;ethenoxyethane (CID 170851929) is ethenoxycyclohexane;ethenoxyethane.
What is the SMILES notation for ethenoxycyclohexane;ethenoxyethane?
The canonical SMILES for ethenoxycyclohexane;ethenoxyethane is C=COC1CCCCC1.C=COCC.
What is the InChIKey of ethenoxycyclohexane;ethenoxyethane?
The InChIKey is RANFAWISHQBNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C4H8O/c1-2-9-8-6-4-3-5-7-8;1-3-5-4-2/h2,8H,1,3-7H2;3H,1,4H2,2H3.
What are the key properties of ethenoxycyclohexane;ethenoxyethane?
ethenoxycyclohexane;ethenoxyethane has a molecular weight of 198.31 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 ethenoxycyclohexane;ethenoxyethane is sourced from PubChem (CID 170851929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).